3-tert-butyl-N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-(5-chloranyl-2-methoxy-phenyl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-methoxy-phenyl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(5-chloro-2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(5-chloro-2-methoxy-phenyl)pyrazole-4-sulfonamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=C(C=CC(=C2)Cl)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H24ClN3O3S/c1-21(2,3)20-19(14-25(23-20)13-15-8-6-5-7-9-15)29(26,27)24-17-12-16(22)10-11-18(17)28-4/h5-12,14,24H,13H2,1-4H3