N-[3-(hydroxymethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(hydroxymethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(hydroxymethyl)phenyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(hydroxymethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(hydroxymethyl)phenyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methylolphenyl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC(=C2)CO)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC(=C2)CO)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c24-16-18-7-4-8-20(15-18)22-21(25)19-9-12-23(13-10-19)28(26,27)14-11-17-5-2-1-3-6-17/h1-8,11,14-15,19,24H,9-10,12-13,16H2,(H,22,25)/b14-11+