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

Systemtic Name: 1,1-bis(4-tert-butylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 1,1-bis(4-tert-butylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol CAS Name: 1,1-bis(4-tert-butylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(4-tert-butylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Traditional Name: 1,1-bis(4-tert-butylphenyl)-3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]propan-1-ol Formula: C36H50N2O3S MolecularWeight: 590.8588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O3S/c1-34(2,3)29-11-15-31(16-12-29)36(39,32-17-13-30(14-18-32)35(4,5)6)21-24-37-22-8-23-38(26-25-37)27-28-9-19-33(20-10-28)42(7,40)41/h9-20,39H,8,21-27H2,1-7H3