N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-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)17-7-3-4-8-18(17)28(24,25)19-15-9-11-16(12-10-15)29(26,27)20-13-5-1-2-6-14-20/h3-4,7-12,19H,1-2,5-6,13-14H2