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

Systemtic Name: ethyl 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H30N4O5S/c1-2-32-23(29)26-11-9-24(10-12-26)18-22(28)25-13-15-27(16-14-25)33(30,31)21-8-7-19-5-3-4-6-20(19)17-21/h3-8,17H,2,9-16,18H2,1H3/p+1