1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[5-(1-piperidylsulfonyl)-2-thienyl]ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(5-piperidinosulfonyl-2-thienyl)ethanone Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C23H31N3O3S2/c1-18-7-6-8-21(19(18)2)24-13-15-25(16-14-24)22(27)17-20-9-10-23(30-20)31(28,29)26-11-4-3-5-12-26/h6-10H,3-5,11-17H2,1-2H3