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

Systemtic Name: 1,1-bis(4-dimethylaminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Openeye Name: 1,1-bis(4-dimethylaminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol CAS Name: 1,1-bis(4-dimethylaminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-propanol IUPAC Name: 1,1-bis(4-dimethylaminophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]propan-1-ol Traditional Name: 1,1-bis(4-dimethylaminophenyl)-3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]propan-1-ol Formula: C32H44N4O3S MolecularWeight: 564.78176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44N4O3S/c1-33(2)29-13-9-27(10-14-29)32(37,28-11-15-30(16-12-28)34(3)4)19-22-35-20-6-21-36(24-23-35)25-26-7-17-31(18-8-26)40(5,38)39/h7-18,37H,6,19-25H2,1-5H3