N-[(3S,4R)-6-bromanyl-3-ethenyl-3,4-dihydro-2H-chromen-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S,4R)-6-bromanyl-3-ethenyl-3,4-dihydro-2H-chromen-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(3S,4R)-6-bromo-3-vinyl-chroman-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S,4R)-6-bromo-3-ethenyl-3,4-dihydro-2H-1-benzopyran-4-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S,4R)-6-bromo-3-ethenyl-3,4-dihydro-2H-chromen-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(3S,4R)-6-bromo-3-vinyl-chroman-4-yl]-4-methyl-benzenesulfonamide Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(COC3=C2C=C(C=C3)Br)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@@H](COC3=C2C=C(C=C3)Br)C=C

InChI

InChI=1S/C18H18BrNO3S/c1-3-13-11-23-17-9-6-14(19)10-16(17)18(13)20-24(21,22)15-7-4-12(2)5-8-15/h3-10,13,18,20H,1,11H2,2H3/t13-,18-/m1/s1