[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 2-chloranyl-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl] 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2-chloro-5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]benzoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl] 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2-chloro-5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-benzoic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester Formula: C22H26ClN2O6S+ MolecularWeight: 481.96964

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OC3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C22H25ClN2O6S/c1-3-24-10-12-25(13-11-24)32(28,29)18-8-9-20(23)19(15-18)22(27)31-17-6-4-16(5-7-17)14-21(26)30-2/h4-9,15H,3,10-14H2,1-2H3/p+1