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

Systemtic Name: 4-[2-[(2-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[2-(o-tolylmethoxy)ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[2-[(2-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[2-[(2-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[2-(2-methylbenzyl)oxyethyl]-1-tosyl-1,4-diazepan-5-one Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)N(CC2)CCOCC3=CC=CC=C3C

InChI

InChI=1S/C22H28N2O4S/c1-18-7-9-21(10-8-18)29(26,27)24-12-11-22(25)23(13-14-24)15-16-28-17-20-6-4-3-5-19(20)2/h3-10H,11-17H2,1-2H3