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

Systemtic Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[3-(1-piperidin-1-iumyl)propyl]benzamide IUPAC Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-[(2,3-dimethylphenyl)sulfamoyl]-N-(3-piperidin-1-ium-1-ylpropyl)benzamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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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+]3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCCC[NH+]3CCCCC3)C

InChI

InChI=1S/C23H31N3O3S/c1-18-8-6-9-22(19(18)2)25-30(28,29)21-12-10-20(11-13-21)23(27)24-14-7-17-26-15-4-3-5-16-26/h6,8-13,25H,3-5,7,14-17H2,1-2H3,(H,24,27)/p+1