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

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-benzylsulfonylpiperazino)-2-keto-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)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H30N4O5S/c1-2-29-20(26)23-10-8-21(9-11-23)16-19(25)22-12-14-24(15-13-22)30(27,28)17-18-6-4-3-5-7-18/h3-7H,2,8-17H2,1H3/p+1