N,N-diethyl-4-[4-(furan-2-yl)butan-2-ylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(furan-2-yl)butan-2-ylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[[3-(2-furyl)-1-methyl-propyl]amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(2-furanyl)butan-2-ylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(furan-2-yl)butan-2-ylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[[3-(2-furyl)-1-methyl-propyl]amino]-3-nitro-benzenesulfonamide Formula: C18H25N3O5S MolecularWeight: 395.4732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)CCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC(C)CCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-4-20(5-2)27(24,25)16-10-11-17(18(13-16)21(22)23)19-14(3)8-9-15-7-6-12-26-15/h6-7,10-14,19H,4-5,8-9H2,1-3H3