ethyl 1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(4-methylpiperidino)sulfonylanilino]ethyl]isonipecotic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H33N3O5S/c1-3-30-22(27)18-10-12-24(13-11-18)16-21(26)23-19-4-6-20(7-5-19)31(28,29)25-14-8-17(2)9-15-25/h4-7,17-18H,3,8-16H2,1-2H3,(H,23,26)