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

Systemtic Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[1-(4-methylsulfonylphenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[1-(4-methylsulfonylphenyl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[1-(4-mesylphenyl)ethylamino]-3-nitro-benzenesulfonamide Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S2/c1-12(2)20-29(26,27)16-9-10-17(18(11-16)21(22)23)19-13(3)14-5-7-15(8-6-14)28(4,24)25/h5-13,19-20H,1-4H3