4-(azepan-1-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azepan-1-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(azepan-1-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(1-azepanyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(azepan-1-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(azepan-1-yl)-3-nitro-benzenesulfonamide Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c13-20(18,19)10-5-6-11(12(9-10)15(16)17)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H2,13,18,19)