1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoranyl-2-oxidanylidene-indol-1-yl]methyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoranyl-2-oxidanylidene-indol-1-yl]methyl]-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoro-2-oxo-indolin-1-yl]methyl]-3-methyl-piperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]imino-5-fluoro-2-oxo-1-indolyl]methyl]-3-methyl-1-piperazinyl]-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoro-2-oxoindol-1-yl]methyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-[4-[[3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]imino-5-fluoro-2-keto-indolin-1-yl]methyl]-3-methyl-piperazino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C40H38F2N8O7S MolecularWeight: 812.840926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC(=CC(=N5)C)C)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F

Isomeric SMILES

CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC(=CC(=N5)C)C)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F

InChI

InChI=1S/C40H38F2N8O7S/c1-21-15-22(2)44-40(43-21)46-58(55,56)27-10-6-25(7-11-27)45-33-28-16-24(41)5-12-32(28)50(38(33)52)20-48-14-13-47(18-23(48)3)35-31(42)17-29-34(37(35)57-4)49(26-8-9-26)19-30(36(29)51)39(53)54/h5-7,10-12,15-17,19,23,26H,8-9,13-14,18,20H2,1-4H3,(H,53,54)(H,43,44,46)