tert-butyl 5-methoxy-3-[4-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-3-[4-methoxy-1-(4-methylphenyl)sulfonyl-pyrrolo[2,3-b]pyridin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-3-[4-methoxy-1-(p-tolylsulfonyl)pyrrolo[2,3-b]pyridin-2-yl]indole-1-carboxylate CAS Name: 5-methoxy-3-[4-methoxy-1-(4-methylphenyl)sulfonyl-2-pyrrolo[2,3-b]pyridinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-3-[4-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]indole-1-carboxylate Traditional Name: 5-methoxy-3-(4-methoxy-1-tosyl-pyrrolo[2,3-b]pyridin-2-yl)indole-1-carboxylic acid tert-butyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)OC)C4=CN(C5=C4C=C(C=C5)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C(C=CN=C32)OC)C4=CN(C5=C4C=C(C=C5)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H29N3O6S/c1-18-7-10-20(11-8-18)39(34,35)32-25(16-22-26(37-6)13-14-30-27(22)32)23-17-31(28(33)38-29(2,3)4)24-12-9-19(36-5)15-21(23)24/h7-17H,1-6H3