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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S2/c22-21(23)16-6-5-7-18(14-16)28(24,25)19-15-8-10-17(11-9-15)29(26,27)20-12-3-1-2-4-13-20/h5-11,14,19H,1-4,12-13H2