1-[(4-methylsulfonylphenyl)methyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(2-phenylphenyl)methyl]-1,4-diazepan-5-one Traditional Name: 1-(4-mesylbenzyl)-4-(2-phenylbenzyl)-1,4-diazepan-5-one Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCC(=O)N(CC2)CC3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCC(=O)N(CC2)CC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-32(30,31)24-13-11-21(12-14-24)19-27-16-15-26(29)28(18-17-27)20-23-9-5-6-10-25(23)22-7-3-2-4-8-22/h2-14H,15-20H2,1H3