N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(5-fluoranylquinolin-8-yl)benzamide

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-(5-fluoranylquinolin-8-yl)benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(5-fluoro-8-quinolyl)benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-(5-fluoro-8-quinolinyl)benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-(5-fluoroquinolin-8-yl)benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-(5-fluoro-8-quinolyl)benzamide Formula: C34H32FN5O5S2 MolecularWeight: 673.776783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CCCCN)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C5C(=C(C=C4)F)C=CC=N5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(CCCCN)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C5C(=C(C=C4)F)C=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C34H32FN5O5S2/c35-30-17-16-28(33-29(30)10-6-20-37-33)23-11-13-24(14-12-23)34(41)39-47(44,45)27-15-18-31(32(21-27)40(42)43)38-25(7-4-5-19-36)22-46-26-8-2-1-3-9-26/h1-3,6,8-18,20-21,25,38H,4-5,7,19,22,36H2,(H,39,41)