1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Openeye Name: 2-(4-benzyloxyphenyl)-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(4-phenylmethoxyphenyl)ethanone Traditional Name: 2-(4-benzoxyphenyl)-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4S/c1-35(32,33)27-14-10-24(11-15-27)21-29-16-5-17-30(19-18-29)28(31)20-23-8-12-26(13-9-23)34-22-25-6-3-2-4-7-25/h2-4,6-15H,5,16-22H2,1H3