[(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [(2S,3R)-6-bromanyl-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3R)-6-bromo-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid [(2S,3R)-6-bromo-2-(3-methoxyphenyl)chroman-3-yl] ester Formula: C24H22BrNO6S MolecularWeight: 532.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC2CC3=C(C=CC(=C3)Br)OC2C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O[C@@H]2CC3=C(C=CC(=C3)Br)O[C@H]2C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H22BrNO6S/c1-15-6-9-20(10-7-15)33(28,29)26-24(27)32-22-14-17-12-18(25)8-11-21(17)31-23(22)16-4-3-5-19(13-16)30-2/h3-13,22-23H,14H2,1-2H3,(H,26,27)/t22-,23+/m1/s1