N-[3-(azepan-1-yl)propyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(1-azepanyl)propyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-nitro-benzenesulfonamide Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4S/c19-18(20)14-8-3-4-9-15(14)23(21,22)16-10-7-13-17-11-5-1-2-6-12-17/h3-4,8-9,16H,1-2,5-7,10-13H2