ethyl 1-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-methyl-2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]propan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-1-methyl-2-(3-piperidinosulfonylanilino)ethyl]nipecotic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-3-30-22(27)18-9-8-12-24(16-18)17(2)21(26)23-19-10-7-11-20(15-19)31(28,29)25-13-5-4-6-14-25/h7,10-11,15,17-18H,3-6,8-9,12-14,16H2,1-2H3,(H,23,26)