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

Systemtic Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [2-(2-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [2-(2-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [4-carbethoxy-2-(2-chlorophenyl)pyrazol-3-yl]methyl-[2-(4-sulfamoylphenyl)ethyl]ammonium Formula: C21H24ClN4O4S+ MolecularWeight: 463.95766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+]CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23ClN4O4S/c1-2-30-21(27)17-13-25-26(19-6-4-3-5-18(19)22)20(17)14-24-12-11-15-7-9-16(10-8-15)31(23,28)29/h3-10,13,24H,2,11-12,14H2,1H3,(H2,23,28,29)/p+1