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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1COCCN2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3

InChI

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