[2-(4-methylsulfonylphenyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [2-(4-methylsulfonylphenyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-methylsulfonylphenyl)phenyl]methanone CAS Name: [2-(4-methylsulfonylphenyl)phenyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-methylsulfonylphenyl)phenyl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(4-mesylphenyl)phenyl]methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

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