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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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