4-(azepan-1-yl)-N-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzenesulfonamide CAS Name: 4-(1-azepanyl)-N-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(azepan-1-yl)-N-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzenesulfonamide Formula: C16H25N3O4S MolecularWeight: 355.4524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4S/c1-2-3-10-17-24(22,23)14-8-9-15(16(13-14)19(20)21)18-11-6-4-5-7-12-18/h8-9,13,17H,2-7,10-12H2,1H3