3-[[1-(4-chloranyl-3-sulfamoyl-phenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl]amino]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 3-[[1-(4-chloranyl-3-sulfamoyl-phenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl]amino]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 3-[[1-(4-chloro-3-sulfamoyl-phenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl]amino]-3-oxo-propane-1-sulfonic acid CAS Name: 3-[[1-(4-chloro-3-sulfamoylphenyl)-2-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenylethyl]amino]-3-oxo-1-propanesulfonic acid IUPAC Name: 3-[[1-(4-chloro-3-sulfamoylphenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylethyl]amino]-3-oxopropane-1-sulfonic acid Traditional Name: 3-[[1-(4-chloro-3-sulfamoyl-phenyl)-2-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-ethyl]amino]-3-keto-propane-1-sulfonic acid Formula: C22H29ClN3O6S2+ MolecularWeight: 531.06516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CC(C2=CC=CC=C2)(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)NC(=O)CCS(=O)(=O)O

Isomeric SMILES

C[N+]1(CCCC1)CC(C2=CC=CC=C2)(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)NC(=O)CCS(=O)(=O)O

InChI

InChI=1S/C22H28ClN3O6S2/c1-26(12-5-6-13-26)16-22(17-7-3-2-4-8-17,25-21(27)11-14-33(28,29)30)18-9-10-19(23)20(15-18)34(24,31)32/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H3-,24,25,27,28,29,30,31,32)/p+1