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

Systemtic Name: 1,1-bis(2-methylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1,1-bis(o-tolyl)propan-1-ol CAS Name: 1,1-bis(2-methylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(2-methylphenyl)-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(o-tolyl)propan-1-ol Formula: C30H38N2O3S MolecularWeight: 506.69932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4C)O

Isomeric SMILES

CC1=CC=CC=C1C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4C)O

InChI

InChI=1S/C30H38N2O3S/c1-24-9-4-6-11-28(24)30(33,29-12-7-5-10-25(29)2)17-20-31-18-8-19-32(22-21-31)23-26-13-15-27(16-14-26)36(3,34)35/h4-7,9-16,33H,8,17-23H2,1-3H3