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

Systemtic Name: 4-[2-methoxy-4-(3-methoxypropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(3-methoxypropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-(3-methoxypropyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(3-methoxypropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(3-methoxypropyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H33N3O7S2 MolecularWeight: 635.75032

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Descriptors Computed from Structure

Canonical SMILES:

COCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COCCCC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C32H33N3O7S2/c1-41-19-6-7-23-10-16-28(31(21-23)42-2)24-11-13-25(14-12-24)32(36)34-44(39,40)27-15-17-29(30(22-27)35(37)38)33-18-20-43-26-8-4-3-5-9-26/h3-5,8-17,21-22,33H,6-7,18-20H2,1-2H3,(H,34,36)