1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzotriazole

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)benzotriazole Openeye Name: 1-[2-nitro-4-(1-piperidylsulfonyl)phenyl]benzotriazole CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]benzotriazole IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)benzotriazole Traditional Name: 1-(2-nitro-4-piperidinosulfonyl-phenyl)benzotriazole Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4S/c23-22(24)17-12-13(27(25,26)20-10-4-1-5-11-20)8-9-16(17)21-15-7-3-2-6-14(15)18-19-21/h2-3,6-9,12H,1,4-5,10-11H2