4-(2,3-dimethyl-5-oxidanylidene-4-propan-2-yl-pyrazol-1-yl)-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-(2,3-dimethyl-5-oxidanylidene-4-propan-2-yl-pyrazol-1-yl)-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-(4-isopropyl-2,3-dimethyl-5-oxo-pyrazol-1-yl)benzenesulfonamide CAS Name: 4-(2,3-dimethyl-5-oxo-4-propan-2-yl-1-pyrazolyl)-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide Traditional Name: N-benzyl-4-(4-isopropyl-5-keto-2,3-dimethyl-3-pyrazolin-1-yl)benzenesulfonamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C21H25N3O3S/c1-15(2)20-16(3)23(4)24(21(20)25)18-10-12-19(13-11-18)28(26,27)22-14-17-8-6-5-7-9-17/h5-13,15,22H,14H2,1-4H3