N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C26H30N4O3S MolecularWeight: 478.6064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-2-21-8-10-23(11-9-21)20-30-25(12-16-27-30)28-26(31)24-13-17-29(18-14-24)34(32,33)19-15-22-6-4-3-5-7-22/h3-12,15-16,19,24H,2,13-14,17-18,20H2,1H3,(H,28,31)/b19-15+