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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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