3-nitro-4-(3-phenylsulfanylpropylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzenesulfonamide Openeye Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzenesulfonamide CAS Name: 3-nitro-4-[3-(phenylthio)propylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzenesulfonamide Traditional Name: 3-nitro-4-[3-(phenylthio)propylamino]benzenesulfonamide Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c16-24(21,22)13-7-8-14(15(11-13)18(19)20)17-9-4-10-23-12-5-2-1-3-6-12/h1-3,5-8,11,17H,4,9-10H2,(H2,16,21,22)