(1S,4S)-1-[(4-bromophenyl)sulfonylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine

Systemtic Name: (1S,4S)-1-[(4-bromophenyl)sulfonylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine Openeye Name: (1S,4S)-1-[(4-bromophenyl)sulfonylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine CAS Name: (1S,4S)-1-[(4-bromophenyl)sulfonylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxin IUPAC Name: (1S,4S)-1-[(4-bromophenyl)sulfonylmethyl]-4-methoxy-1,4-dimethyl-2,3-benzodioxine Traditional Name: (1S,4S)-1-(brosylmethyl)-4-methoxy-1,4-dimethyl-2,3-benzodioxin Formula: C18H19BrO5S MolecularWeight: 427.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2C(OO1)(C)OC)CS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@]1(C2=CC=CC=C2[C@@](OO1)(C)OC)CS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrO5S/c1-17(12-25(20,21)14-10-8-13(19)9-11-14)15-6-4-5-7-16(15)18(2,22-3)24-23-17/h4-11H,12H2,1-3H3/t17-,18+/m1/s1