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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NCC(=O)N(C3=C2C=C(C=C3)Cl)CCCS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=NCC(=O)N(C3=C2C=C(C=C3)Cl)CCCS(=O)(=O)C

InChI

InChI=1S/C20H21ClN2O3S/c1-14-6-3-4-7-16(14)20-17-12-15(21)8-9-18(17)23(19(24)13-22-20)10-5-11-27(2,25)26/h3-4,6-9,12H,5,10-11,13H2,1-2H3