4-[2-(hydroxymethyl)-3-methyl-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-(hydroxymethyl)-3-methyl-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-(hydroxymethyl)-3-methyl-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-(hydroxymethyl)-3-methyl-1-benzothiophen-5-yl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-(hydroxymethyl)-3-methyl-1-benzothiophen-5-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-methyl-2-methylol-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H27N3O6S3 MolecularWeight: 633.75758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])CO

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-])CO

InChI

InChI=1S/C31H27N3O6S3/c1-20-26-17-23(11-14-29(26)42-30(20)19-35)21-7-9-22(10-8-21)31(36)33-43(39,40)25-12-13-27(28(18-25)34(37)38)32-15-16-41-24-5-3-2-4-6-24/h2-14,17-18,32,35H,15-16,19H2,1H3,(H,33,36)