7-methyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 7-methyl-4-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]coumarin Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H27N3O6S/c1-16(2)21-14-22-18(12-24(28)33-23(22)11-17(21)3)15-25-7-9-26(10-8-25)34(31,32)20-6-4-5-19(13-20)27(29)30/h4-6,11-14,16H,7-10,15H2,1-3H3