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

Systemtic Name: ethyl 1-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H30N3O6S+ MolecularWeight: 440.5337

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H29N3O6S/c1-2-29-20(25)16-7-9-22(10-8-16)15-19(24)21-17-3-5-18(6-4-17)30(26,27)23-11-13-28-14-12-23/h3-6,16H,2,7-15H2,1H3,(H,21,24)/p+1