3,4-dimethyl-5-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[methyl-[[4-(1-piperidyl)phenyl]methyl]sulfamoyl]benzoic acid CAS Name: 3,4-dimethyl-5-[methyl-[[4-(1-piperidinyl)phenyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[methyl-(4-piperidinobenzyl)sulfamoyl]benzoic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCCCC3)C

InChI

InChI=1S/C22H28N2O4S/c1-16-13-19(22(25)26)14-21(17(16)2)29(27,28)23(3)15-18-7-9-20(10-8-18)24-11-5-4-6-12-24/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,26)