2-(4-azanylbutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(4-azanylbutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(4-aminobutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(4-aminobutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-aminobutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(4-aminobutyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CCCCN

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)CCCCN

InChI

InChI=1S/C21H25N5O3S/c1-15-14-19(26(25-15)13-5-4-12-22)21(27)24-17-10-8-16(9-11-17)18-6-2-3-7-20(18)30(23,28)29/h2-3,6-11,14H,4-5,12-13,22H2,1H3,(H,24,27)(H2,23,28,29)