1-methyl-4-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(3-methylbenzothiophene-2-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(3-methylbenzothiophene-2-carbonyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C20H22N4O4S2/c1-13-15-5-3-4-6-17(15)29-18(13)20(26)23-7-9-24(10-8-23)30(27,28)14-11-16(19(21)25)22(2)12-14/h3-6,11-12H,7-10H2,1-2H3,(H2,21,25)