1-(3-phenylpropylsulfonyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide

Systemtic Name: 1-(3-phenylpropylsulfonyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropylsulfonyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O4S/c1-2-16-26-25(30)22-14-6-7-15-23(22)27-24(29)21-13-8-17-28(19-21)33(31,32)18-9-12-20-10-4-3-5-11-20/h2-7,10-11,14-15,21H,1,8-9,12-13,16-19H2,(H,26,30)(H,27,29)