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

Systemtic Name: 4-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[2-[(4-methoxyphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-(2-p-anisyloxyethyl)-1-tosyl-1,4-diazepan-5-one Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O5S/c1-18-3-9-21(10-4-18)30(26,27)24-12-11-22(25)23(13-14-24)15-16-29-17-19-5-7-20(28-2)8-6-19/h3-10H,11-17H2,1-2H3