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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

Isomeric SMILES

CCCS(=O)(=O)CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3C

InChI

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