4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-methyl-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-methyl-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-furylmethyl)-N-methyl-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-(2-furanylmethyl)-N-methyl-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-N-methyl-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-(2-furfuryl)-methyl-amine Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CO1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5S/c1-19(14-15-7-6-12-26-15)17-9-8-16(13-18(17)21(22)23)27(24,25)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11,14H2,1H3