N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitro-benzenesulfonamide CAS Name: N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-[3-(dimethylamino)propyl]-4-(1,2-diphenylethylamino)-3-nitro-benzenesulfonamide Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC(CC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)NC(CC2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O4S/c1-28(2)17-9-16-26-34(32,33)22-14-15-23(25(19-22)29(30)31)27-24(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-15,19,24,26-27H,9,16-18H2,1-2H3