2-(3-bromophenyl)-N-butyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-(3-bromophenyl)-N-butyl-2-[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanamide Openeye Name: 2-(3-bromophenyl)-N-butyl-2-[5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzodiazepin-4-yl]acetamide CAS Name: 2-(3-bromophenyl)-N-butyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetamide IUPAC Name: 2-(3-bromophenyl)-N-butyl-2-[1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetamide Traditional Name: 2-(3-bromophenyl)-N-butyl-2-(5-keto-1-tosyl-2,3-dihydro-1,4-benzodiazepin-4-yl)acetamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C1=CC(=CC=C1)Br)N2CCN(C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCNC(=O)C(C1=CC(=CC=C1)Br)N2CCN(C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H30BrN3O4S/c1-3-4-16-30-27(33)26(21-8-7-9-22(29)19-21)31-17-18-32(25-11-6-5-10-24(25)28(31)34)37(35,36)23-14-12-20(2)13-15-23/h5-15,19,26H,3-4,16-18H2,1-2H3,(H,30,33)