4-[2-(4-fluorophenyl)ethylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(4-fluorophenyl)ethylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(4-fluorophenyl)ethylamino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(4-fluorophenyl)ethylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(4-fluorophenyl)ethylamino]-N-[(2R)-1-methoxypropan-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-fluorophenyl)ethylamino]-N-[(1R)-2-methoxy-1-methyl-ethyl]-3-nitro-benzenesulfonamide Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](COC)NS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O5S/c1-13(12-27-2)21-28(25,26)16-7-8-17(18(11-16)22(23)24)20-10-9-14-3-5-15(19)6-4-14/h3-8,11,13,20-21H,9-10,12H2,1-2H3/t13-/m1/s1