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

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c23-19(21-12-3-1-2-4-13-21)15-8-10-16(11-9-15)20-28(26,27)18-7-5-6-17(14-18)22(24)25/h5-11,14,20H,1-4,12-13H2