N-tert-butyl-3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenesulfonamide

Systemtic Name: N-tert-butyl-3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenesulfonamide Openeye Name: N-tert-butyl-3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenesulfonamide CAS Name: N-tert-butyl-3-nitro-4-[2-(1-phenyl-4-pyrazolyl)ethylamino]benzenesulfonamide IUPAC Name: N-tert-butyl-3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenesulfonamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c1-21(2,3)24-31(29,30)18-9-10-19(20(13-18)26(27)28)22-12-11-16-14-23-25(15-16)17-7-5-4-6-8-17/h4-10,13-15,22,24H,11-12H2,1-3H3