N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzenesulfonamide Formula: C24H29N5O5S MolecularWeight: 499.58256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H29N5O5S/c1-16-12-17(2)15-27(14-16)21-11-10-20(13-22(21)29(31)32)35(33,34)25-23-18(3)26(4)28(24(23)30)19-8-6-5-7-9-19/h5-11,13,16-17,25H,12,14-15H2,1-4H3/t16-,17-/m1/s1