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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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