ethyl 2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[2-oxo-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[2-oxo-5-phenyl-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C28H24N4O5S MolecularWeight: 528.57896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O5S/c1-2-37-24(33)18-32-22-15-7-6-14-21(22)25(19-10-4-3-5-11-19)30-27(28(32)34)31-38(35,36)23-16-8-12-20-13-9-17-29-26(20)23/h3-17,27,31H,2,18H2,1H3