(E)-3-[4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(3-azanyl-4-cyano-1H-pyrazol-5-yl)propyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-sulfamoyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylsulfamoyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methylsulfamoyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(3-amino-4-cyano-1H-pyrazol-5-yl)propyl-methyl-sulfamoyl]phenyl]acrylic acid Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=C(C(=NN1)N)C#N)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CN(CCCC1=C(C(=NN1)N)C#N)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C17H19N5O4S/c1-22(10-2-3-15-14(11-18)17(19)21-20-15)27(25,26)13-7-4-12(5-8-13)6-9-16(23)24/h4-9H,2-3,10H2,1H3,(H,23,24)(H3,19,20,21)/b9-6+