methyl 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoate CAS Name: 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoate Traditional Name: 2-[[1-(1H-imidazol-5-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]sulfonyl]benzoic acid methyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(C3=CC=CC=C3C2)CC4=CN=CN4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(C3=CC=CC=C3C2)CC4=CN=CN4

InChI

InChI=1S/C21H22N4O4S/c1-29-21(26)18-7-3-5-9-20(18)30(27,28)25-11-10-24(14-17-12-22-15-23-17)19-8-4-2-6-16(19)13-25/h2-9,12,15H,10-11,13-14H2,1H3,(H,22,23)