4-(benzotriazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(benzotriazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(benzotriazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-benzotriazolyl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(benzotriazol-1-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(benzotriazol-1-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4S/c1-3-19(4-2)26(24,25)12-9-10-15(16(11-12)21(22)23)20-14-8-6-5-7-13(14)17-18-20/h5-11H,3-4H2,1-2H3