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

Systemtic Name: N-[4-[(6-azanyl-1-phenylsulfanyl-hexan-2-yl)amino]-3-nitro-phenyl]sulfonyl-4-[2-methoxy-4-(3-oxidanylpropyl)phenyl]benzamide Openeye Name: N-[4-[[5-amino-1-(phenylsulfanylmethyl)pentyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]benzamide CAS Name: N-[4-[[6-amino-1-(phenylthio)hexan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxyphenyl]benzamide IUPAC Name: N-[4-[(6-amino-1-phenylsulfanylhexan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxyphenyl]benzamide Traditional Name: N-[4-[[5-amino-1-[(phenylthio)methyl]pentyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]benzamide Formula: C35H40N4O7S2 MolecularWeight: 692.8447

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CCCCN)CSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C35H40N4O7S2/c1-46-34-22-25(8-7-21-40)12-18-31(34)26-13-15-27(16-14-26)35(41)38-48(44,45)30-17-19-32(33(23-30)39(42)43)37-28(9-5-6-20-36)24-47-29-10-3-2-4-11-29/h2-4,10-19,22-23,28,37,40H,5-9,20-21,24,36H2,1H3,(H,38,41)