1-benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(3,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H22N2O3S2/c1-15-7-8-18(13-16(15)2)28(25,26)23-11-9-22(10-12-23)21(24)20-14-17-5-3-4-6-19(17)27-20/h3-8,13-14H,9-12H2,1-2H3