N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)Cl)C

InChI

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