tert-butyl 2-[[1-[1-benzamidooxy-2-[(4-nitrophenyl)sulfonylamino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]amino]benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[[1-[1-benzamidooxy-2-[(4-nitrophenyl)sulfonylamino]-1-oxidanylidene-propan-2-yl]piperidin-4-yl]amino]benzimidazole-1-carboxylate Openeye Name: tert-butyl 2-[[1-[2-benzamidooxy-1-methyl-1-[(4-nitrophenyl)sulfonylamino]-2-oxo-ethyl]-4-piperidyl]amino]benzimidazole-1-carboxylate CAS Name: 2-[[1-[1-benzamidooxy-2-[(4-nitrophenyl)sulfonylamino]-1-oxopropan-2-yl]-4-piperidinyl]amino]-1-benzimidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-[1-benzamidooxy-2-[(4-nitrophenyl)sulfonylamino]-1-oxopropan-2-yl]piperidin-4-yl]amino]benzimidazole-1-carboxylate Traditional Name: 2-[[1-[2-benzamidooxy-2-keto-1-methyl-1-(nosylamino)ethyl]-4-piperidyl]amino]benzimidazole-1-carboxylic acid tert-butyl ester Formula: C33H37N7O9S MolecularWeight: 707.75338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1NC3CCN(CC3)C(C)(C(=O)ONC(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1NC3CCN(CC3)C(C)(C(=O)ONC(=O)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H37N7O9S/c1-32(2,3)48-31(43)39-27-13-9-8-12-26(27)35-30(39)34-23-18-20-38(21-19-23)33(4,29(42)49-36-28(41)22-10-6-5-7-11-22)37-50(46,47)25-16-14-24(15-17-25)40(44)45/h5-17,23,37H,18-21H2,1-4H3,(H,34,35)(H,36,41)