1-[(3-methylphenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Openeye Name: N-[2-(allylcarbamoyl)phenyl]-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-[oxo-(prop-2-enylamino)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[2-(allylcarbamoyl)phenyl]-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

InChI=1S/C24H29N3O4S/c1-3-13-25-24(29)21-9-4-5-10-22(21)26-23(28)20-11-14-27(15-12-20)32(30,31)17-19-8-6-7-18(2)16-19/h3-10,16,20H,1,11-15,17H2,2H3,(H,25,29)(H,26,28)