(3S)-1-(4-chlorophenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[2-(allylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(allylcarbamoyl)phenyl]-1-(4-chlorophenyl)sulfonyl-nipecotamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O4S/c1-2-13-24-22(28)19-7-3-4-8-20(19)25-21(27)16-6-5-14-26(15-16)31(29,30)18-11-9-17(23)10-12-18/h2-4,7-12,16H,1,5-6,13-15H2,(H,24,28)(H,25,27)/t16-/m0/s1