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

Systemtic Name: tert-butyl 2-[5-(3-nitrophenyl)-2-oxidanylidene-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3-nitrophenyl)-2-oxo-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-nitrophenyl)-2-oxo-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(3-nitrophenyl)-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-(3-nitrophenyl)-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C30H27N5O7S MolecularWeight: 601.62968

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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+](=O)[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)[N+](=O)[O-]

InChI

InChI=1S/C30H27N5O7S/c1-30(2,3)42-25(36)18-34-23-14-5-4-13-22(23)26(20-10-6-12-21(17-20)35(38)39)32-28(29(34)37)33-43(40,41)24-15-7-9-19-11-8-16-31-27(19)24/h4-17,28,33H,18H2,1-3H3