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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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