(3aS,4R,8R,8aS)-5-[(4-bromophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide

Systemtic Name: (3aS,4R,8R,8aS)-5-[(4-bromophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Openeye Name: (3aS,4R,8R,8aS)-5-[(4-bromophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide CAS Name: (3aS,4R,8R,8aS)-5-[(4-bromophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide IUPAC Name: (3aS,4R,8R,8aS)-5-[(4-bromophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Traditional Name: (3aS,4R,8R,8aS)-5-(4-bromobenzyl)-2,2-dimethyl-4,8-bis(phenoxymethyl)-4,7,8,8a-tetrahydro-3aH-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Formula: C28H31BrN2O6S MolecularWeight: 603.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(NS(=O)(=O)N(C(C2O1)COC3=CC=CC=C3)CC4=CC=C(C=C4)Br)COC5=CC=CC=C5)C

Isomeric SMILES

CC1(O[C@H]2[C@H](NS(=O)(=O)N([C@@H]([C@@H]2O1)COC3=CC=CC=C3)CC4=CC=C(C=C4)Br)COC5=CC=CC=C5)C

InChI

InChI=1S/C28H31BrN2O6S/c1-28(2)36-26-24(18-34-22-9-5-3-6-10-22)30-38(32,33)31(17-20-13-15-21(29)16-14-20)25(27(26)37-28)19-35-23-11-7-4-8-12-23/h3-16,24-27,30H,17-19H2,1-2H3/t24-,25-,26+,27+/m1/s1