3-nitro-4-[2-(4-propan-2-ylphenyl)ethylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[2-(4-propan-2-ylphenyl)ethylamino]benzenesulfonamide Openeye Name: 4-[2-(4-isopropylphenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 3-nitro-4-[2-(4-propan-2-ylphenyl)ethylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[2-(4-propan-2-ylphenyl)ethylamino]benzenesulfonamide Traditional Name: 3-nitro-4-(2-p-cumenylethylamino)benzenesulfonamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-12(2)14-5-3-13(4-6-14)9-10-19-16-8-7-15(25(18,23)24)11-17(16)20(21)22/h3-8,11-12,19H,9-10H2,1-2H3,(H2,18,23,24)