N-[(2-chlorophenyl)methyl]-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O3S/c1-16-5-4-6-17(13-16)15-28(26,27)24-11-9-18(10-12-24)21(25)23-14-19-7-2-3-8-20(19)22/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)