2-(7-bromanyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanoic acid

Systemtic Name: 2-(7-bromanyl-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanoic acid Openeye Name: 2-(7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)acetic acid CAS Name: 2-(7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)acetic acid IUPAC Name: 2-(7-bromo-4-methylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)acetic acid Traditional Name: 2-(7-bromo-4-mesyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)acetic acid Formula: C12H15BrN2O4S MolecularWeight: 363.2275

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(C2=C(C1)C=C(C=C2)Br)CC(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCN(C2=C(C1)C=C(C=C2)Br)CC(=O)O

InChI

InChI=1S/C12H15BrN2O4S/c1-20(18,19)15-5-4-14(8-12(16)17)11-3-2-10(13)6-9(11)7-15/h2-3,6H,4-5,7-8H2,1H3,(H,16,17)