4-(azepan-1-ylsulfonyl)-2-nitro-N-[1-(oxolan-2-yl)ethyl]aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[1-(oxolan-2-yl)ethyl]aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-(1-tetrahydrofuran-2-ylethyl)aniline CAS Name: 4-(1-azepanylsulfonyl)-2-nitro-N-[1-(2-oxolanyl)ethyl]aniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-2-nitro-N-[1-(oxolan-2-yl)ethyl]aniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[1-(tetrahydrofuryl)ethyl]amine Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C1CCCO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c1-14(18-7-6-12-26-18)19-16-9-8-15(13-17(16)21(22)23)27(24,25)20-10-4-2-3-5-11-20/h8-9,13-14,18-19H,2-7,10-12H2,1H3