1,1-bis(2-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol

Systemtic Name: 1,1-bis(2-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 1,1-bis(2-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol CAS Name: 1,1-bis(2-methoxyphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(2-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(2-methoxyphenyl)propan-1-ol Formula: C30H38N2O5S MolecularWeight: 538.69812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4OC)O

Isomeric SMILES

COC1=CC=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4OC)O

InChI

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