ethyl (3S)-1-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]nipecotic acid ethyl ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H29N3O6S/c1-2-29-20(25)16-4-3-9-22(14-16)15-19(24)21-17-5-7-18(8-6-17)30(26,27)23-10-12-28-13-11-23/h5-8,16H,2-4,9-15H2,1H3,(H,21,24)/t16-/m0/s1