1-[(2-chlorophenyl)methylsulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methylsulfonyl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)sulfonyl-N-(3,4-dimethylphenyl)isonipecotamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H25ClN2O3S/c1-15-7-8-19(13-16(15)2)23-21(25)17-9-11-24(12-10-17)28(26,27)14-18-5-3-4-6-20(18)22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)