N-(3,5-dimethylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3,5-dimethylphenyl)acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-(3,5-dimethylphenyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-17-12-18(2)14-20(13-17)22-21(25)15-23-8-10-24(11-9-23)28(26,27)16-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,22,25)