ethyl 4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-besylpiperazino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H29N4O5S+ MolecularWeight: 425.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H28N4O5S/c1-2-28-19(25)22-10-8-20(9-11-22)16-18(24)21-12-14-23(15-13-21)29(26,27)17-6-4-3-5-7-17/h3-7H,2,8-16H2,1H3/p+1