1-(phenylmethyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylmethyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-1-benzylsulfonyl-isonipecotamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4S/c1-2-14-24-23(28)20-10-6-7-11-21(20)25-22(27)19-12-15-26(16-13-19)31(29,30)17-18-8-4-3-5-9-18/h2-11,19H,1,12-17H2,(H,24,28)(H,25,27)