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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

InChI

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