4-[3-[methyl(phenyl)amino]propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[3-[methyl(phenyl)amino]propylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[3-(N-methylanilino)propylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[3-(N-methylanilino)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[3-(N-methylanilino)propylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[3-(N-methylanilino)propylamino]-3-nitro-benzenesulfonamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C16H20N4O4S/c1-19(13-6-3-2-4-7-13)11-5-10-18-15-9-8-14(25(17,23)24)12-16(15)20(21)22/h2-4,6-9,12,18H,5,10-11H2,1H3,(H2,17,23,24)