1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzotriazole

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzotriazole Openeye Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzotriazole CAS Name: 1-[4-(1-azepanylsulfonyl)-2-nitrophenyl]benzotriazole IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]benzotriazole Traditional Name: 1-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]benzotriazole Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3C4=CC=CC=C4N=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O4S/c24-23(25)18-13-14(28(26,27)21-11-5-1-2-6-12-21)9-10-17(18)22-16-8-4-3-7-15(16)19-20-22/h3-4,7-10,13H,1-2,5-6,11-12H2