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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCO)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)CCO)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/C30H29N3O7S2/c1-40-29-19-21(15-17-34)7-13-26(29)22-8-10-23(11-9-22)30(35)32-42(38,39)25-12-14-27(28(20-25)33(36)37)31-16-18-41-24-5-3-2-4-6-24/h2-14,19-20,31,34H,15-18H2,1H3,(H,32,35)