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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N4O5S+ MolecularWeight: 425.52236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H28N4O5S/c1-2-28-19(25)22-12-10-21(11-13-22)15-18(24)20-16-6-5-7-17(14-16)29(26,27)23-8-3-4-9-23/h5-7,14H,2-4,8-13,15H2,1H3,(H,20,24)/p+1