ethyl (3S)-1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]nipecotic acid ethyl ester Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H33N3O5S/c1-3-30-22(27)18-8-7-11-24(15-18)16-21(26)23-19-10-9-17(2)20(14-19)31(28,29)25-12-5-4-6-13-25/h9-10,14,18H,3-8,11-13,15-16H2,1-2H3,(H,23,26)/t18-/m0/s1