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

Systemtic Name: 4-[2-[(3-methylphenyl)methoxy]ethyl]-1-(phenylsulfonyl)-1,4-diazepan-5-one Openeye Name: 1-(benzenesulfonyl)-4-[2-(m-tolylmethoxy)ethyl]-1,4-diazepan-5-one CAS Name: 1-(benzenesulfonyl)-4-[2-[(3-methylphenyl)methoxy]ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(benzenesulfonyl)-4-[2-[(3-methylphenyl)methoxy]ethyl]-1,4-diazepan-5-one Traditional Name: 1-besyl-4-[2-(3-methylbenzyl)oxyethyl]-1,4-diazepan-5-one Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-18-6-5-7-19(16-18)17-27-15-14-22-12-13-23(11-10-21(22)24)28(25,26)20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3