[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C23H25N3O4S/c1-17-15-18(2)26(24-17)21-9-5-19(6-10-21)16-30-23(27)20-7-11-22(12-8-20)31(28,29)25-13-3-4-14-25/h5-12,15H,3-4,13-14,16H2,1-2H3