ethyl 1-[1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-1-methyl-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl]nipecotic acid ethyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(C)C(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H33N3O6S/c1-4-31-22(27)18-6-5-9-24(15-18)17(3)21(26)23-19-8-7-16(2)20(14-19)32(28,29)25-10-12-30-13-11-25/h7-8,14,17-18H,4-6,9-13,15H2,1-3H3,(H,23,26)