tert-butyl 2-(3-ethoxy-3-oxidanylidene-propyl)-5-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-ethoxy-3-oxidanylidene-propyl)-5-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 2-(3-ethoxy-3-oxo-propyl)-5-methoxy-3-[2-(p-tolylsulfonylamino)ethyl]indole-1-carboxylate CAS Name: 2-(3-ethoxy-3-oxopropyl)-5-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-ethoxy-3-oxopropyl)-5-methoxy-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Traditional Name: 2-(3-ethoxy-3-keto-propyl)-5-methoxy-3-[2-(tosylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C28H36N2O7S MolecularWeight: 544.65964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OC)CCNS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OC)CCNS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H36N2O7S/c1-7-36-26(31)15-14-24-22(16-17-29-38(33,34)21-11-8-19(2)9-12-21)23-18-20(35-6)10-13-25(23)30(24)27(32)37-28(3,4)5/h8-13,18,29H,7,14-17H2,1-6H3