N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: 1-esyl-N-[3-(pivaloylamino)phenyl]isonipecotamide Formula: C19H29N3O4S MolecularWeight: 395.51626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C19H29N3O4S/c1-5-27(25,26)22-11-9-14(10-12-22)17(23)20-15-7-6-8-16(13-15)21-18(24)19(2,3)4/h6-8,13-14H,5,9-12H2,1-4H3,(H,20,23)(H,21,24)