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

Systemtic Name: 4-(2-ethanoyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(2-acetyl-3-methyl-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-acetyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-acetyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(2-acetyl-3-methyl-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H27N3O6S3 MolecularWeight: 645.76828

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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-])C(=O)C

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-])C(=O)C

InChI

InChI=1S/C32H27N3O6S3/c1-20-27-18-24(12-15-30(27)43-31(20)21(2)36)22-8-10-23(11-9-22)32(37)34-44(40,41)26-13-14-28(29(19-26)35(38)39)33-16-17-42-25-6-4-3-5-7-25/h3-15,18-19,33H,16-17H2,1-2H3,(H,34,37)