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

Systemtic Name: N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-tert-butylphenyl)methyl]-3-pyrazolyl]-1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-tert-butylbenzyl)pyrazol-3-yl]-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C26H31FN4O3S MolecularWeight: 498.612743

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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=C4F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C26H31FN4O3S/c1-26(2,3)21-10-8-19(9-11-21)18-31-24(12-15-28-31)29-25(32)20-13-16-30(17-14-20)35(33,34)23-7-5-4-6-22(23)27/h4-12,15,20H,13-14,16-18H2,1-3H3,(H,29,32)