tert-butyl 5-methoxy-2-[5-methoxy-3,5-bis(oxidanylidene)pentyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-2-[5-methoxy-3,5-bis(oxidanylidene)pentyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-2-(5-methoxy-3,5-dioxo-pentyl)-3-[2-(p-tolylsulfonylamino)ethyl]indole-1-carboxylate CAS Name: 5-methoxy-2-(5-methoxy-3,5-dioxopentyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-2-(5-methoxy-3,5-dioxopentyl)-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]indole-1-carboxylate Traditional Name: 2-(3,5-diketo-5-methoxy-pentyl)-5-methoxy-3-[2-(tosylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C29H36N2O8S MolecularWeight: 572.66974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=C2C=C(C=C3)OC)C(=O)OC(C)(C)C)CCC(=O)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(N(C3=C2C=C(C=C3)OC)C(=O)OC(C)(C)C)CCC(=O)CC(=O)OC

InChI

InChI=1S/C29H36N2O8S/c1-19-7-11-22(12-8-19)40(35,36)30-16-15-23-24-18-21(37-5)10-14-26(24)31(28(34)39-29(2,3)4)25(23)13-9-20(32)17-27(33)38-6/h7-8,10-12,14,18,30H,9,13,15-17H2,1-6H3