N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-16-21(17(2)26(24-16)19-8-4-3-5-9-19)23-22(27)18-10-12-20(13-11-18)30(28,29)25-14-6-7-15-25/h3-5,8-13H,6-7,14-15H2,1-2H3,(H,23,27)