ethyl 4-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(3-methylsulfonylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methylsulfonylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(3-mesylanilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H24N3O5S+ MolecularWeight: 370.44386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O5S/c1-3-24-16(21)19-9-7-18(8-10-19)12-15(20)17-13-5-4-6-14(11-13)25(2,22)23/h4-6,11H,3,7-10,12H2,1-2H3,(H,17,20)/p+1