N-[(2-methylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(o-tolylmethyl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methylbenzyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-18-7-5-6-10-21(18)17-23-22(25)20-11-14-24(15-12-20)28(26,27)16-13-19-8-3-2-4-9-19/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H,23,25)/b16-13+