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

Systemtic Name: 1-(3-methylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-propan-1-ol Openeye Name: 3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-(m-tolyl)-1-phenyl-propan-1-ol CAS Name: 1-(3-methylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-1-propanol IUPAC Name: 1-(3-methylphenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-ol Traditional Name: 3-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-1-(m-tolyl)-1-phenyl-propan-1-ol Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)(C4=CC=CC=C4)O

InChI

InChI=1S/C29H36N2O3S/c1-24-8-6-11-27(22-24)29(32,26-9-4-3-5-10-26)16-19-30-17-7-18-31(21-20-30)23-25-12-14-28(15-13-25)35(2,33)34/h3-6,8-15,22,32H,7,16-21,23H2,1-2H3