tert-butyl 2-[5-[3-[bis(bromanyl)methylideneamino]phenyl]-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[3-[bis(bromanyl)methylideneamino]phenyl]-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-[3-(dibromomethyleneamino)phenyl]-2-oxo-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-[3-(dibromomethylideneamino)phenyl]-2-oxo-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[3-(dibromomethylideneamino)phenyl]-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-[3-(dibromomethyleneamino)phenyl]-2-keto-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C31H27Br2N5O5S MolecularWeight: 741.44958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)N=C(Br)Br

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)N=C(Br)Br

InChI

InChI=1S/C31H27Br2N5O5S/c1-31(2,3)43-25(39)18-38-23-14-5-4-13-22(23)26(20-10-6-12-21(17-20)35-30(32)33)36-28(29(38)40)37-44(41,42)24-15-7-9-19-11-8-16-34-27(19)24/h4-17,28,37H,18H2,1-3H3