1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-2-(benzylamino)-1-methyl-2-oxo-ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[(2S)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-methyl-ethyl]-1-tosyl-isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N[C@@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-17-8-10-21(11-9-17)31(29,30)26-14-12-20(13-15-26)23(28)25-18(2)22(27)24-16-19-6-4-3-5-7-19/h3-11,18,20H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t18-/m0/s1