4-(benzotriazol-1-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-(benzotriazol-1-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Openeye Name: 4-(benzotriazol-1-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide CAS Name: 4-(1-benzotriazolyl)-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(benzotriazol-1-yl)-N-[3-(dimethylamino)propyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(benzotriazol-1-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzenesulfonamide Formula: C17H20N6O4S MolecularWeight: 404.4435

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4S/c1-21(2)11-5-10-18-28(26,27)13-8-9-16(17(12-13)23(24)25)22-15-7-4-3-6-14(15)19-20-22/h3-4,6-9,12,18H,5,10-11H2,1-2H3