4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethyl-aniline Openeye Name: 4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethyl-aniline CAS Name: 4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline IUPAC Name: 4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-N,N-dimethylaniline Traditional Name: [4-[5-tert-butyl-2-(4-chlorophenyl)sulfonyl-2-pyrazolin-3-yl]phenyl]-dimethyl-amine Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(C1)C2=CC=C(C=C2)N(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(C1)C2=CC=C(C=C2)N(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-21(2,3)20-14-19(15-6-10-17(11-7-15)24(4)5)25(23-20)28(26,27)18-12-8-16(22)9-13-18/h6-13,19H,14H2,1-5H3