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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CN(N=C1)CC2=CC=CC=C2)C(=O)C3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-28(19-24-18-27-29(21-24)20-23-10-6-3-7-11-23)26(31)25-12-15-30(16-13-25)34(32,33)17-14-22-8-4-2-5-9-22/h2-11,14,17-18,21,25H,12-13,15-16,19-20H2,1H3/b17-14+