4-chloranyl-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzenesulfonamide Openeye Name: 4-chloro-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]benzenesulfonamide CAS Name: 4-chloro-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)-4-pyrazolyl]methylideneamino]benzenesulfonamide IUPAC Name: 4-chloro-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzenesulfonamide Traditional Name: 4-chloro-N-[(E)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methyleneamino]benzenesulfonamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN(C=C2C=NNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClN4O3S/c1-2-16-33-23-12-8-19(9-13-23)25-20(18-30(28-25)22-6-4-3-5-7-22)17-27-29-34(31,32)24-14-10-21(26)11-15-24/h3-15,17-18,29H,2,16H2,1H3/b27-17+