4-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzamide CAS Name: 4-[[4-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 4-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazino]sulfonylbenzamide Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(=O)N

InChI

InChI=1S/C24H26N4O4S2/c25-22(29)17-7-9-18(10-8-17)34(31,32)28-15-13-26(14-16-28)23(30)21-19-5-1-2-6-20(19)33-24(21)27-11-3-4-12-27/h3-4,7-12H,1-2,5-6,13-16H2,(H2,25,29)