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

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32N3O5S+ MolecularWeight: 438.56088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-2-29-21(26)17-9-13-23(14-10-17)16-20(25)22-18-7-6-8-19(15-18)30(27,28)24-11-4-3-5-12-24/h6-8,15,17H,2-5,9-14,16H2,1H3,(H,22,25)/p+1