tert-butyl 6-[[4-(methylsulfonylamino)-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate

Systemtic Name: tert-butyl 6-[[4-(methylsulfonylamino)-2-[(1-pyridin-4-ylpiperidin-4-yl)carbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-(methanesulfonamido)-2-[[1-(4-pyridyl)piperidine-4-carbonyl]amino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-(methanesulfonamido)-2-[[oxo-(1-pyridin-4-yl-4-piperidinyl)methyl]amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-(methanesulfonamido)-2-[[1-(4-pyridyl)isonipecotoyl]amino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C32H36N6O6S MolecularWeight: 632.72984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C)NC(=O)C4CCN(CC4)C5=CC=NC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C1C=C(C=C2)NC(=O)C3=C(C=C(C=C3)NS(=O)(=O)C)NC(=O)C4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C32H36N6O6S/c1-32(2,3)44-31(41)38-18-13-21-5-6-23(20-28(21)38)34-30(40)26-8-7-24(36-45(4,42)43)19-27(26)35-29(39)22-11-16-37(17-12-22)25-9-14-33-15-10-25/h5-10,13-15,18-20,22,36H,11-12,16-17H2,1-4H3,(H,34,40)(H,35,39)