2-(4,5-dimethoxy-2-sulfamoyl-phenyl)ethanoyl-methyl-[1-(methylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-(1-phenyl-1-pyrrolidin-1-yl-ethyl)azanium

Systemtic Name: 2-(4,5-dimethoxy-2-sulfamoyl-phenyl)ethanoyl-methyl-[1-(methylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-(1-phenyl-1-pyrrolidin-1-yl-ethyl)azanium Openeye Name: [2-(4,5-dimethoxy-2-sulfamoyl-phenyl)acetyl]-[2-hydroxy-1-(methylamino)-2-oxo-ethyl]-methyl-(1-phenyl-1-pyrrolidin-1-yl-ethyl)ammonium CAS Name: [2-(4,5-dimethoxy-2-sulfamoylphenyl)-1-oxoethyl]-[2-hydroxy-1-(methylamino)-2-oxoethyl]-methyl-[1-phenyl-1-(1-pyrrolidinyl)ethyl]ammonium IUPAC Name: [2-(4,5-dimethoxy-2-sulfamoylphenyl)acetyl]-[2-hydroxy-1-(methylamino)-2-oxoethyl]-methyl-(1-phenyl-1-pyrrolidin-1-ylethyl)azanium Traditional Name: [2-(4,5-dimethoxy-2-sulfamoyl-phenyl)acetyl]-[2-hydroxy-2-keto-1-(methylamino)ethyl]-methyl-(1-phenyl-1-pyrrolidino-ethyl)ammonium Formula: C26H37N4O7S+ MolecularWeight: 549.65958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(N2CCCC2)[N+](C)(C(C(=O)O)NC)C(=O)CC3=CC(=C(C=C3S(=O)(=O)N)OC)OC

Isomeric SMILES

CC(C1=CC=CC=C1)(N2CCCC2)[N+](C)(C(C(=O)O)NC)C(=O)CC3=CC(=C(C=C3S(=O)(=O)N)OC)OC

InChI

InChI=1S/C26H36N4O7S/c1-26(29-13-9-10-14-29,19-11-7-6-8-12-19)30(3,24(28-2)25(32)33)23(31)16-18-15-20(36-4)21(37-5)17-22(18)38(27,34)35/h6-8,11-12,15,17,24,28H,9-10,13-14,16H2,1-5H3,(H2-,27,32,33,34,35)/p+1