2-(4-methoxyphenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepane

Systemtic Name: 2-(4-methoxyphenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepane Openeye Name: 2-(4-methoxyphenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepane CAS Name: 2-(4-methoxyphenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepane IUPAC Name: 2-(4-methoxyphenyl)-1-[(4-methylsulfonylphenyl)methyl]-2-phenyl-4-propyl-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-2-(4-methoxyphenyl)-2-phenyl-4-propyl-1,4-diazepane Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(C(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCCN1CCCN(C(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)OC)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C29H36N2O3S/c1-4-19-30-20-8-21-31(22-24-11-17-28(18-12-24)35(3,32)33)29(23-30,25-9-6-5-7-10-25)26-13-15-27(34-2)16-14-26/h5-7,9-18H,4,8,19-23H2,1-3H3