4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-N-methyl-benzamide CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonyl-N-methyl-benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O3S2/c1-22-21(25)16-6-8-18(9-7-16)29(26,27)24-12-10-23(11-13-24)14-17-15-28-20-5-3-2-4-19(17)20/h2-9,15H,10-14H2,1H3,(H,22,25)