N-[2-(azepan-1-yl)ethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-nitro-benzenesulfonamide Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c18-17(19)13-5-7-14(8-6-13)22(20,21)15-9-12-16-10-3-1-2-4-11-16/h5-8,15H,1-4,9-12H2