1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-1-(3,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O4S/c1-17-8-9-21(14-18(17)2)31(29,30)26-12-10-20(11-13-26)23(28)25-16-22(27)24-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)