N-(2,5-dimethylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[4-(3-pyridylsulfonyl)piperazin-1-yl]propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[4-(3-pyridinylsulfonyl)-1-piperazinyl]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[4-(3-pyridylsulfonyl)piperazino]propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H26N4O3S/c1-15-6-7-16(2)19(13-15)22-20(25)17(3)23-9-11-24(12-10-23)28(26,27)18-5-4-8-21-14-18/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,25)