3-nitro-N-propan-2-yl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide

Systemtic Name: 3-nitro-N-propan-2-yl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide CAS Name: 3-nitro-N-propan-2-yl-4-[2-[4-(1-pyrazolyl)phenyl]ethylamino]benzenesulfonamide IUPAC Name: 3-nitro-N-propan-2-yl-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]benzenesulfonamide Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)N3C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4S/c1-15(2)23-30(28,29)18-8-9-19(20(14-18)25(26)27)21-12-10-16-4-6-17(7-5-16)24-13-3-11-22-24/h3-9,11,13-15,21,23H,10,12H2,1-2H3