N-[4-(azepan-1-ylcarbonyl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-4-hydroxy-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-4-hydroxy-3-nitrobenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-4-hydroxy-3-nitro-benzenesulfonamide Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c23-18-10-9-16(13-17(18)22(25)26)29(27,28)20-15-7-5-14(6-8-15)19(24)21-11-3-1-2-4-12-21/h5-10,13,20,23H,1-4,11-12H2