N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(3-pyridylsulfonyl)piperazino]acetamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-16-6-7-19(13-17(16)2)18(3)23-21(26)15-24-9-11-25(12-10-24)29(27,28)20-5-4-8-22-14-20/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,26)