N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-mesyl-nipecotamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-31(29,30)26-14-8-11-19(16-26)23(28)24-15-20-17-27(21-12-6-3-7-13-21)25-22(20)18-9-4-2-5-10-18/h2-7,9-10,12-13,17,19H,8,11,14-16H2,1H3,(H,24,28)