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

Systemtic Name: tert-butyl 2-[5-(3-formamidophenyl)-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3-formamidophenyl)-2-oxo-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-formamidophenyl)-2-oxo-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(3-formamidophenyl)-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(3-formamidophenyl)-2-keto-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C31H29N5O6S MolecularWeight: 599.65686

Click to see the large picture

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)NC=O

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)NC=O

InChI

InChI=1S/C31H29N5O6S/c1-31(2,3)42-26(38)18-36-24-14-5-4-13-23(24)27(21-10-6-12-22(17-21)33-19-37)34-29(30(36)39)35-43(40,41)25-15-7-9-20-11-8-16-32-28(20)25/h4-17,19,29,35H,18H2,1-3H3,(H,33,37)