N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[(4-tert-butylphenyl)methyl]-3-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(4-tert-butylbenzyl)pyrazol-3-yl]isonipecotamide Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H32N4O3S/c1-26(2,3)22-11-9-20(10-12-22)19-30-24(13-16-27-30)28-25(31)21-14-17-29(18-15-21)34(32,33)23-7-5-4-6-8-23/h4-13,16,21H,14-15,17-19H2,1-3H3,(H,28,31)