1-[3-(4-methoxyphenyl)-3-phenyl-propyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[3-(4-methoxyphenyl)-3-phenyl-propyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[3-(4-methoxyphenyl)-3-phenyl-propyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane CAS Name: 1-[3-(4-methoxyphenyl)-3-phenylpropyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[3-(4-methoxyphenyl)-3-phenylpropyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[3-(4-methoxyphenyl)-3-phenyl-propyl]-1,4-diazepane Formula: C29H36N2O3S MolecularWeight: 492.67274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(CCN2CCCN(CC2)CC3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CC=C4

InChI

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