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

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H30N3O5S+ MolecularWeight: 424.5343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O5S/c1-2-28-20(25)16-6-5-11-22(14-16)15-19(24)21-17-7-9-18(10-8-17)29(26,27)23-12-3-4-13-23/h7-10,16H,2-6,11-15H2,1H3,(H,21,24)/p+1/t16-/m0/s1