3-nitro-4-(2-phenylsulfanylethylamino)-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-phenylsulfanylethylamino)-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide CAS Name: 3-nitro-4-[2-(phenylthio)ethylamino]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-nitro-4-(2-phenylsulfanylethylamino)-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S2/c1-13(2)19-26(23,24)15-8-9-16(17(12-15)20(21)22)18-10-11-25-14-6-4-3-5-7-14/h3-9,12-13,18-19H,10-11H2,1-2H3