N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]benzenesulfonamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]benzenesulfonamide Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]benzenesulfonamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]benzenesulfonamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]benzenesulfonamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]benzenesulfonamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2S/c1-17-20(16-22-24-29(27,28)19-12-6-3-7-13-19)21(25-14-8-9-15-25)26(23-17)18-10-4-2-5-11-18/h2-7,10-13,16,24H,8-9,14-15H2,1H3/b22-16+