N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-quinolin-8-yl-benzamide

Systemtic Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanyl-hexan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-quinolin-8-yl-benzamide Openeye Name: N-[4-[[5-(dimethylamino)-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide CAS Name: N-[4-[[6-(dimethylamino)-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(8-quinolinyl)benzamide IUPAC Name: N-[4-[[6-(dimethylamino)-1-phenylsulfanylhexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-quinolin-8-ylbenzamide Traditional Name: N-[4-[[5-(dimethylamino)-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(8-quinolyl)benzamide Formula: C36H37N5O5S2 MolecularWeight: 683.83948

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C36H37N5O5S2/c1-40(2)23-7-6-12-29(25-47-30-13-4-3-5-14-30)38-33-21-20-31(24-34(33)41(43)44)48(45,46)39-36(42)28-18-16-26(17-19-28)32-15-8-10-27-11-9-22-37-35(27)32/h3-5,8-11,13-22,24,29,38H,6-7,12,23,25H2,1-2H3,(H,39,42)