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

Systemtic Name: tert-butyl 6-[[4-(methylsulfonylamino)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxycarbonylamino]phenyl]carbonylamino]indole-1-carboxylate Openeye Name: tert-butyl 6-[[4-(methanesulfonamido)-2-[[1-(4-pyridyl)-4-piperidyl]methoxycarbonylamino]benzoyl]amino]indole-1-carboxylate CAS Name: 6-[[[4-(methanesulfonamido)-2-[[oxo-[(1-pyridin-4-yl-4-piperidinyl)methoxy]methyl]amino]phenyl]-oxomethyl]amino]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methoxycarbonylamino]benzoyl]amino]indole-1-carboxylate Traditional Name: 6-[[4-(methanesulfonamido)-2-[[1-(4-pyridyl)-4-piperidyl]methoxycarbonylamino]benzoyl]amino]indole-1-carboxylic acid tert-butyl ester Formula: C33H38N6O7S MolecularWeight: 662.75582

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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)OCC4CCN(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)OCC4CCN(CC4)C5=CC=NC=C5

InChI

InChI=1S/C33H38N6O7S/c1-33(2,3)46-32(42)39-18-13-23-5-6-24(20-29(23)39)35-30(40)27-8-7-25(37-47(4,43)44)19-28(27)36-31(41)45-21-22-11-16-38(17-12-22)26-9-14-34-15-10-26/h5-10,13-15,18-20,22,37H,11-12,16-17,21H2,1-4H3,(H,35,40)(H,36,41)