[(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [(1S)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)N(C)C)C

InChI

InChI=1S/C25H33N3O5S/c1-17-6-11-23(16-18(17)2)34(31,32)28-14-12-20(13-15-28)25(30)33-19(3)24(29)26-21-7-9-22(10-8-21)27(4)5/h6-11,16,19-20H,12-15H2,1-5H3,(H,26,29)/t19-/m0/s1