4-[[[4-(3-chloranyl-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[4-(3-chloranyl-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide Openeye Name: 4-[[[4-(3-chloro-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide CAS Name: 4-[[[4-(3-chloro-5-cyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[[4-(3-chloro-5-cyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide Traditional Name: 4-[[[4-(3-chloro-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzenesulfonamide Formula: C19H18ClN5O3S MolecularWeight: 431.89592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CNCC2=CC=C(C=C2)S(=O)(=O)N)OC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1)CNCC2=CC=C(C=C2)S(=O)(=O)N)OC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C19H18ClN5O3S/c1-12-19(28-16-7-14(9-21)6-15(20)8-16)18(25-24-12)11-23-10-13-2-4-17(5-3-13)29(22,26)27/h2-8,23H,10-11H2,1H3,(H,24,25)(H2,22,26,27)