4-[[2-(azepan-1-yl)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[2-(azepan-1-yl)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[2-(azepan-1-yl)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[2-(1-azepanyl)-3-methylbutyl]amino]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[2-(azepan-1-yl)-3-methylbutyl]amino]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[2-(azepan-1-yl)-3-methyl-butyl]amino]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H30N4O4S MolecularWeight: 398.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C18H30N4O4S/c1-14(2)18(21-10-6-4-5-7-11-21)13-20-16-9-8-15(27(25,26)19-3)12-17(16)22(23)24/h8-9,12,14,18-20H,4-7,10-11,13H2,1-3H3