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

Systemtic Name: 7-chloranyl-5-(2-methylphenyl)-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(2-isopropylsulfonylethyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-(2-methylphenyl)-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-(2-methylphenyl)-1-(2-propan-2-ylsulfonylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(2-isopropylsulfonylethyl)-5-(o-tolyl)-3H-1,4-benzodiazepin-2-one Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O3S/c1-14(2)28(26,27)11-10-24-19-9-8-16(22)12-18(19)21(23-13-20(24)25)17-7-5-4-6-15(17)3/h4-9,12,14H,10-11,13H2,1-3H3