N-tert-butyl-4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzyl]amino]-3-nitro-benzenesulfonamide Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=CC=C2)CNC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H29N5O4S/c1-16-11-17(2)27(25-16)15-19-8-6-7-18(12-19)14-24-21-10-9-20(13-22(21)28(29)30)33(31,32)26-23(3,4)5/h6-13,24,26H,14-15H2,1-5H3