4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylene]hydrazino]benzenesulfonic acid CAS Name: 4-[(2E)-2-[[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[(2E)-2-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[(N'E)-N'-[(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methylene]hydrazino]besylic acid Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC2=CC=C(C=C2)S(=O)(=O)O)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC2=CC=C(C=C2)S(=O)(=O)O)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-16-20(15-22-23-17-9-11-19(12-10-17)30(27,28)29)21(25-13-5-6-14-25)26(24-16)18-7-3-2-4-8-18/h2-4,7-12,15,23H,5-6,13-14H2,1H3,(H,27,28,29)/b22-15+