4-(azepan-1-ylsulfonyl)-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitro-aniline

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitro-aniline Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[1-(5-methyl-2-furyl)ethyl]-2-nitro-aniline CAS Name: 4-(1-azepanylsulfonyl)-N-[1-(5-methyl-2-furanyl)ethyl]-2-nitroaniline IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline Traditional Name: [4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-[1-(5-methyl-2-furyl)ethyl]amine Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O5S/c1-14-7-10-19(27-14)15(2)20-17-9-8-16(13-18(17)22(23)24)28(25,26)21-11-5-3-4-6-12-21/h7-10,13,15,20H,3-6,11-12H2,1-2H3