4-[2-methoxy-4-(3-oxidanylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-methoxy-4-(3-oxidanylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(3-hydroxypropyl)-2-methoxyphenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(3-hydroxypropyl)-2-methoxyphenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H31N3O7S2 MolecularWeight: 621.72374

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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)NCCSC4=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)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H31N3O7S2/c1-41-30-20-22(6-5-18-35)9-15-27(30)23-10-12-24(13-11-23)31(36)33-43(39,40)26-14-16-28(29(21-26)34(37)38)32-17-19-42-25-7-3-2-4-8-25/h2-4,7-16,20-21,32,35H,5-6,17-19H2,1H3,(H,33,36)