3-(1H-benzimidazol-2-yl)-7-methoxy-6-(4-methylsulfonylphenyl)-1-(octan-3-ylamino)quinolin-2-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-7-methoxy-6-(4-methylsulfonylphenyl)-1-(octan-3-ylamino)quinolin-2-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-7-methoxy-6-(4-methylsulfonylphenyl)quinolin-2-one CAS Name: 3-(1H-benzimidazol-2-yl)-7-methoxy-6-(4-methylsulfonylphenyl)-1-(octan-3-ylamino)-2-quinolinone IUPAC Name: 3-(1H-benzimidazol-2-yl)-7-methoxy-6-(4-methylsulfonylphenyl)-1-(octan-3-ylamino)quinolin-2-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-6-(4-mesylphenyl)-7-methoxy-carbostyril Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)S(=O)(=O)C)OC

Isomeric SMILES

CCCCCC(CC)NN1C2=CC(=C(C=C2C=C(C1=O)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)S(=O)(=O)C)OC

InChI

InChI=1S/C32H36N4O4S/c1-5-7-8-11-23(6-2)35-36-29-20-30(40-3)25(21-14-16-24(17-15-21)41(4,38)39)18-22(29)19-26(32(36)37)31-33-27-12-9-10-13-28(27)34-31/h9-10,12-20,23,35H,5-8,11H2,1-4H3,(H,33,34)