N-methyl-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Openeye Name: N-methyl-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide CAS Name: N-methyl-3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide IUPAC Name: N-methyl-3-nitro-4-(2-phenylsulfanylethylamino)benzenesulfonamide Traditional Name: N-methyl-3-nitro-4-[2-(phenylthio)ethylamino]benzenesulfonamide Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2/c1-16-24(21,22)13-7-8-14(15(11-13)18(19)20)17-9-10-23-12-5-3-2-4-6-12/h2-8,11,16-17H,9-10H2,1H3