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

Systemtic Name: 4-[2-methoxy-4-(methoxymethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(methoxymethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-(methoxymethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(methoxymethyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(methoxymethyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C30H29N3O7S2 MolecularWeight: 607.69716

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=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

COCC1=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/C30H29N3O7S2/c1-39-20-21-8-14-26(29(18-21)40-2)22-9-11-23(12-10-22)30(34)32-42(37,38)25-13-15-27(28(19-25)33(35)36)31-16-17-41-24-6-4-3-5-7-24/h3-15,18-19,31H,16-17,20H2,1-2H3,(H,32,34)