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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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