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

Systemtic Name: N-[(3-chlorophenyl)methyl]-1-(4-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-1-(4-cyanophenyl)sulfonyl-N-methyl-piperidine-4-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-1-(4-cyanophenyl)sulfonyl-N-methyl-4-piperidinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-1-(4-cyanophenyl)sulfonyl-N-methylpiperidine-4-carboxamide Traditional Name: N-(3-chlorobenzyl)-1-(4-cyanophenyl)sulfonyl-N-methyl-isonipecotamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22ClN3O3S/c1-24(15-17-3-2-4-19(22)13-17)21(26)18-9-11-25(12-10-18)29(27,28)20-7-5-16(14-23)6-8-20/h2-8,13,18H,9-12,15H2,1H3