(3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (3,5-dimethoxy-4-phenylmethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (4-benzyloxy-3,5-dimethoxy-phenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (3,5-dimethoxy-4-phenylmethoxyphenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-benzoxy-3,5-dimethoxy-phenyl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCCN(CC3)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)N3CCCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-28-19-14-18(22(25)23-10-7-11-24(13-12-23)31(3,26)27)15-20(29-2)21(19)30-16-17-8-5-4-6-9-17/h4-6,8-9,14-15H,7,10-13,16H2,1-3H3