4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCC3)C

InChI

InChI=1S/C22H29N3O3S/c1-17-7-5-8-21(18(17)2)24-29(27,28)20-11-9-19(10-12-20)22(26)23-13-6-16-25-14-3-4-15-25/h5,7-12,24H,3-4,6,13-16H2,1-2H3,(H,23,26)/p+1