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

Systemtic Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1,1-bis(4-phenylphenyl)propan-1-ol Openeye Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1,1-bis(4-phenylphenyl)propan-1-ol CAS Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1,1-bis(4-phenylphenyl)-1-propanol IUPAC Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1,1-bis(4-phenylphenyl)propan-1-ol Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1,1-bis(4-phenylphenyl)propan-1-ol Formula: C40H42N2O3S MolecularWeight: 630.83808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CCC(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O

InChI

InChI=1S/C40H42N2O3S/c1-46(44,45)39-23-13-32(14-24-39)31-42-27-8-26-41(29-30-42)28-25-40(43,37-19-15-35(16-20-37)33-9-4-2-5-10-33)38-21-17-36(18-22-38)34-11-6-3-7-12-34/h2-7,9-24,43H,8,25-31H2,1H3