ethyl (3S)-1-[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2S)-1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2S)-1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(1S)-2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H32N3O6S+ MolecularWeight: 454.56028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-3-30-21(26)17-6-5-9-23(15-17)16(2)20(25)22-18-7-4-8-19(14-18)31(27,28)24-10-12-29-13-11-24/h4,7-8,14,16-17H,3,5-6,9-13,15H2,1-2H3,(H,22,25)/p+1/t16-,17-/m0/s1