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

Systemtic Name: 4-[4-(hydroxymethyl)-2-methoxy-phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(hydroxymethyl)-2-methoxy-phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(hydroxymethyl)-2-methoxyphenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(hydroxymethyl)-2-methoxyphenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-methoxy-4-methylol-phenyl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H27N3O7S2 MolecularWeight: 593.67058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CO)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)CO)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/C29H27N3O7S2/c1-39-28-17-20(19-33)7-13-25(28)21-8-10-22(11-9-21)29(34)31-41(37,38)24-12-14-26(27(18-24)32(35)36)30-15-16-40-23-5-3-2-4-6-23/h2-14,17-18,30,33H,15-16,19H2,1H3,(H,31,34)