1-(3,4-dimethylphenyl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(1-pyrazolylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[3-(pyrazol-1-ylmethyl)phenyl]isonipecotamide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)CN4C=CC=N4)C

InChI

InChI=1S/C24H28N4O3S/c1-18-7-8-23(15-19(18)2)32(30,31)28-13-9-21(10-14-28)24(29)26-22-6-3-5-20(16-22)17-27-12-4-11-25-27/h3-8,11-12,15-16,21H,9-10,13-14,17H2,1-2H3,(H,26,29)