[(2S,3S)-6-bromanyl-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [(2S,3S)-6-bromanyl-2-(3-methoxyphenyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: [(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-chroman-3-yl] N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3S)-6-bromo-2-(3-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid [(2S,3S)-6-bromo-4-keto-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C24H20BrNO7S MolecularWeight: 546.3871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2C(OC3=C(C2=O)C=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O[C@H]2[C@@H](OC3=C(C2=O)C=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H20BrNO7S/c1-14-6-9-18(10-7-14)34(29,30)26-24(28)33-23-21(27)19-13-16(25)8-11-20(19)32-22(23)15-4-3-5-17(12-15)31-2/h3-13,22-23H,1-2H3,(H,26,28)/t22-,23+/m0/s1