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

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

COC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CCO

Isomeric SMILES

COC1=CC=CC=C1C2=C(C=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])CCO

InChI

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