N-[2-(azepan-1-yl)-3-methyl-butyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(azepan-1-yl)-3-methyl-butyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(azepan-1-yl)-3-methyl-butyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(1-azepanyl)-3-methylbutyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(azepan-1-yl)-3-methylbutyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [2-(azepan-1-yl)-3-methyl-butyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C18H29N3O4S MolecularWeight: 383.50556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O4S/c1-14(2)18(20-10-6-4-5-7-11-20)13-19-16-9-8-15(26(3,24)25)12-17(16)21(22)23/h8-9,12,14,18-19H,4-7,10-11,13H2,1-3H3