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

Systemtic Name: tert-butyl 2-[5-(3-aminophenyl)-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3-aminophenyl)-2-oxo-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-aminophenyl)-2-oxo-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(3-aminophenyl)-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(3-aminophenyl)-2-keto-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C30H29N5O5S MolecularWeight: 571.64676

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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

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

InChI

InChI=1S/C30H29N5O5S/c1-30(2,3)40-25(36)18-35-23-14-5-4-13-22(23)26(20-10-6-12-21(31)17-20)33-28(29(35)37)34-41(38,39)24-15-7-9-19-11-8-16-32-27(19)24/h4-17,28,34H,18,31H2,1-3H3