2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 6-chloranyl-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl 6-chloranyl-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 6-chloro-2-oxo-chromene-3-carboxylate CAS Name: 6-chloro-2-oxo-1-benzopyran-3-carboxylic acid 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl 6-chloro-2-oxochromene-3-carboxylate Traditional Name: 6-chloro-2-keto-chromene-3-carboxylic acid 2-(4-besylpiperazin-1-ium-1-yl)ethyl ester Formula: C22H22ClN2O6S+ MolecularWeight: 477.93788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O6S/c23-17-6-7-20-16(14-17)15-19(22(27)31-20)21(26)30-13-12-24-8-10-25(11-9-24)32(28,29)18-4-2-1-3-5-18/h1-7,14-15H,8-13H2/p+1