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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]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)NCC3=CN(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CN(N=C3)C4=CC=CC=C4)C

InChI

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