4-[[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-[[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-[[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]amino]-N-isopropyl-3-nitro-benzenesulfonamide Formula: C18H22FN3O5S MolecularWeight: 411.447783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NC(C)C2=CC(=C(C=C2)OC)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=C(C=C1)OC)F)NC2=C(C=C(C=C2)S(=O)(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22FN3O5S/c1-11(2)21-28(25,26)14-6-7-16(17(10-14)22(23)24)20-12(3)13-5-8-18(27-4)15(19)9-13/h5-12,20-21H,1-4H3/t12-/m1/s1