1-(1-benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

InChI

InChI=1S/C21H24N2O4S2/c1-26-19-8-7-17(13-20(19)27-2)29(24,25)23-11-9-22(10-12-23)14-16-15-28-21-6-4-3-5-18(16)21/h3-8,13,15H,9-12,14H2,1-2H3