N-[(1R,2R)-2-bromanyl-1-(4-methoxyphenyl)-3-oxidanylidene-butyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-bromanyl-1-(4-methoxyphenyl)-3-oxidanylidene-butyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-3-oxo-butyl]-4-methyl-benzenesulfonamide CAS Name: N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-3-oxobutyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-3-oxobutyl]-4-methylbenzenesulfonamide Traditional Name: N-[(1R,2R)-2-bromo-3-keto-1-(4-methoxyphenyl)butyl]-4-methyl-benzenesulfonamide Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)OC)C(C(=O)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=C(C=C2)OC)[C@H](C(=O)C)Br

InChI

InChI=1S/C18H20BrNO4S/c1-12-4-10-16(11-5-12)25(22,23)20-18(17(19)13(2)21)14-6-8-15(24-3)9-7-14/h4-11,17-18,20H,1-3H3/t17-,18+/m0/s1