4-[2-[(3-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one

Systemtic Name: 4-[2-[(3-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Openeye Name: 4-[2-(m-tolylmethoxy)ethyl]-1-(p-tolylsulfonyl)-1,4-diazepan-5-one CAS Name: 4-[2-[(3-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one IUPAC Name: 4-[2-[(3-methylphenyl)methoxy]ethyl]-1-(4-methylphenyl)sulfonyl-1,4-diazepan-5-one Traditional Name: 4-[2-(3-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(=C3)C

Isomeric SMILES

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

InChI

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