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

Systemtic Name: 4-methyl-3-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]benzoic acid Openeye Name: 4-methyl-3-[methyl-[[4-(1-piperidyl)phenyl]methyl]sulfamoyl]benzoic acid CAS Name: 4-methyl-3-[methyl-[[4-(1-piperidinyl)phenyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 4-methyl-3-[methyl-[(4-piperidin-1-ylphenyl)methyl]sulfamoyl]benzoic acid Traditional Name: 4-methyl-3-[methyl-(4-piperidinobenzyl)sulfamoyl]benzoic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-6-9-18(21(24)25)14-20(16)28(26,27)22(2)15-17-7-10-19(11-8-17)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,24,25)