tert-butyl 3-[(1S,2S)-2-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1S,2S)-2-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxidanyl-3-oxidanylidene-3-phenylmethoxy-propyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1S,2S)-3-benzyloxy-1-hydroxy-2-methyl-3-oxo-2-(p-tolylsulfonylamino)propyl]indole-1-carboxylate CAS Name: 3-[(1S,2S)-1-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1S,2S)-1-hydroxy-2-methyl-2-[(4-methylphenyl)sulfonylamino]-3-oxo-3-phenylmethoxypropyl]indole-1-carboxylate Traditional Name: 3-[(1S,2S)-3-benzoxy-1-hydroxy-3-keto-2-methyl-2-(tosylamino)propyl]indole-1-carboxylic acid tert-butyl ester Formula: C31H34N2O7S MolecularWeight: 578.67586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C(C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@](C)([C@H](C2=CN(C3=CC=CC=C32)C(=O)OC(C)(C)C)O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H34N2O7S/c1-21-15-17-23(18-16-21)41(37,38)32-31(5,28(35)39-20-22-11-7-6-8-12-22)27(34)25-19-33(29(36)40-30(2,3)4)26-14-10-9-13-24(25)26/h6-19,27,32,34H,20H2,1-5H3/t27-,31-/m0/s1