7-chloranyl-1-(2-ethylsulfonylethyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-1-(2-ethylsulfonylethyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(2-ethylsulfonylethyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-1-(2-ethylsulfonylethyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-1-(2-ethylsulfonylethyl)-5-(2-methylphenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(2-esylethyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

InChI

InChI=1S/C20H21ClN2O3S/c1-3-27(25,26)11-10-23-18-9-8-15(21)12-17(18)20(22-13-19(23)24)16-7-5-4-6-14(16)2/h4-9,12H,3,10-11,13H2,1-2H3