[2-(2,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [2-(2,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [2-(2,4-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [2-(2,4-dimethylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [2-(2,4-dimethylphenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [4-carbethoxy-2-(2,4-dimethylphenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C23H28N4O4S/c1-4-31-23(28)20-14-26-27(21-10-5-16(2)13-17(21)3)22(20)15-25-12-11-18-6-8-19(9-7-18)32(24,29)30/h5-10,13-14,25H,4,11-12,15H2,1-3H3,(H2,24,29,30)/p+1