ethyl (3S)-1-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)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)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S/c1-3-30-21(26)17-5-4-8-23(14-17)15-20(25)22-19-13-18(7-6-16(19)2)31(27,28)24-9-11-29-12-10-24/h6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,25)/p+1/t17-/m0/s1