ethyl 1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H34N3O6S+ MolecularWeight: 468.58686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

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