benzenesulfonic acid; 6-fluoranyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide

Systemtic Name: benzenesulfonic acid; 6-fluoranyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide Openeye Name: benzenesulfonic acid; 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide CAS Name: benzenesulfonic acid; 6-fluoro-8-(4-methyl-1-piperazinyl)-4-oxo-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]-1-benzopyran-2-carboxamide IUPAC Name: benzenesulfonic acid; 6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-N-[4-(4-propanoylpiperazin-1-yl)phenyl]chromene-2-carboxamide Traditional Name: besylic acid; 6-fluoro-4-keto-8-(4-methylpiperazino)-N-[4-(4-propionylpiperazino)phenyl]chromene-2-carboxamide Formula: C34H38FN5O7S MolecularWeight: 679.758223

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC(=CC(=C4O3)N5CCN(CC5)C)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=O)C4=CC(=CC(=C4O3)N5CCN(CC5)C)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C28H32FN5O4.C6H6O3S/c1-3-26(36)34-14-12-32(13-15-34)21-6-4-20(5-7-21)30-28(37)25-18-24(35)22-16-19(29)17-23(27(22)38-25)33-10-8-31(2)9-11-33;7-10(8,9)6-4-2-1-3-5-6/h4-7,16-18H,3,8-15H2,1-2H3,(H,30,37);1-5H,(H,7,8,9)