ethyl 4-[[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]sulfamoyl]benzoate CAS Name: 4-[[2-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]ethyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]sulfamoyl]benzoate Traditional Name: 4-[[2-keto-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]sulfamoyl]benzoic acid ethyl ester Formula: C23H30N3O5S+ MolecularWeight: 460.5664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O5S/c1-2-31-23(28)18-9-11-21(12-10-18)32(29,30)25-16-22(27)24-15-19-7-3-4-8-20(19)17-26-13-5-6-14-26/h3-4,7-12,25H,2,5-6,13-17H2,1H3,(H,24,27)/p+1