4-[2-[(3-methoxyphenyl)methoxy]ethyl]-1-(phenylsulfonyl)-1,4-diazepan-5-one

Systemtic Name: 4-[2-[(3-methoxyphenyl)methoxy]ethyl]-1-(phenylsulfonyl)-1,4-diazepan-5-one Openeye Name: 1-(benzenesulfonyl)-4-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,4-diazepan-5-one CAS Name: 1-(benzenesulfonyl)-4-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(benzenesulfonyl)-4-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,4-diazepan-5-one Traditional Name: 1-besyl-4-(2-m-anisyloxyethyl)-1,4-diazepan-5-one Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-27-19-7-5-6-18(16-19)17-28-15-14-22-12-13-23(11-10-21(22)24)29(25,26)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3