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

Systemtic Name: methyl 1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H27N3O5S/c1-27-19(24)15-8-12-21(13-9-15)14-18(23)20-16-4-6-17(7-5-16)28(25,26)22-10-2-3-11-22/h4-7,15H,2-3,8-14H2,1H3,(H,20,23)/p+1