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

Systemtic Name: (3aS,4R,8R,8aS)-5-[(3-iodanylphenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-7-(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Openeye Name: (3aS,4R,8R,8aS)-7-benzyl-5-[(3-iodophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide CAS Name: (3aS,4R,8R,8aS)-5-[(3-iodophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-7-(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide IUPAC Name: (3aS,4R,8R,8aS)-7-benzyl-5-[(3-iodophenyl)methyl]-2,2-dimethyl-4,8-bis(phenoxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Traditional Name: (3aS,4R,8R,8aS)-7-benzyl-5-(3-iodobenzyl)-2,2-dimethyl-4,8-bis(phenoxymethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-d][1,2,7]thiadiazepine 6,6-dioxide Formula: C35H37IN2O6S MolecularWeight: 740.64755

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(S(=O)(=O)N(C(C2O1)COC3=CC=CC=C3)CC4=CC(=CC=C4)I)CC5=CC=CC=C5)COC6=CC=CC=C6)C

Isomeric SMILES

CC1(O[C@H]2[C@H](N(S(=O)(=O)N([C@@H]([C@@H]2O1)COC3=CC=CC=C3)CC4=CC(=CC=C4)I)CC5=CC=CC=C5)COC6=CC=CC=C6)C

InChI

InChI=1S/C35H37IN2O6S/c1-35(2)43-33-31(24-41-29-17-8-4-9-18-29)37(22-26-13-6-3-7-14-26)45(39,40)38(23-27-15-12-16-28(36)21-27)32(34(33)44-35)25-42-30-19-10-5-11-20-30/h3-21,31-34H,22-25H2,1-2H3/t31-,32-,33+,34+/m1/s1