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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H31N4O5S+ MolecularWeight: 439.54894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H30N4O5S/c1-2-29-20(26)23-14-12-22(13-15-23)16-19(25)21-17-6-8-18(9-7-17)30(27,28)24-10-4-3-5-11-24/h6-9H,2-5,10-16H2,1H3,(H,21,25)/p+1