4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(4-methylsulfanylphenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[1-[4-(methylthio)phenyl]ethylamino]-3-nitro-benzenesulfonamide Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-10(11-3-5-12(23-2)6-4-11)17-14-8-7-13(24(16,21)22)9-15(14)18(19)20/h3-10,17H,1-2H3,(H2,16,21,22)