1,1-bis(3-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol

Systemtic Name: 1,1-bis(3-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 1,1-bis(3-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol CAS Name: 1,1-bis(3-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(3-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1,1-bis(3-methoxyphenyl)propan-1-ol Formula: C30H38N2O5S MolecularWeight: 538.69812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC(=CC=C4)OC)O

Isomeric SMILES

COC1=CC=CC(=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C30H38N2O5S/c1-36-27-9-4-7-25(21-27)30(33,26-8-5-10-28(22-26)37-2)15-18-31-16-6-17-32(20-19-31)23-24-11-13-29(14-12-24)38(3,34)35/h4-5,7-14,21-22,33H,6,15-20,23H2,1-3H3