4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[2-(2-furylmethylsulfanyl)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2-furanylmethylthio)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[2-(furan-2-ylmethylsulfanyl)ethylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[2-(2-furfurylthio)ethylamino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCCSCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O5S2/c1-12(2)18-26(22,23)14-5-6-15(16(10-14)19(20)21)17-7-9-25-11-13-4-3-8-24-13/h3-6,8,10,12,17-18H,7,9,11H2,1-2H3