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

Systemtic Name: 4-(2-ethenyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-(3-methyl-2-vinyl-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-(2-ethenyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(2-ethenyl-3-methyl-1-benzothiophen-5-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(3-methyl-2-vinyl-benzothiophen-5-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H27N3O5S3 MolecularWeight: 629.76888

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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=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=C

InChI

InChI=1S/C32H27N3O5S3/c1-3-30-21(2)27-19-24(13-16-31(27)42-30)22-9-11-23(12-10-22)32(36)34-43(39,40)26-14-15-28(29(20-26)35(37)38)33-17-18-41-25-7-5-4-6-8-25/h3-16,19-20,33H,1,17-18H2,2H3,(H,34,36)