tert-butyl 2-[1-(4-methylphenyl)sulfonylindol-4-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[1-(4-methylphenyl)sulfonylindol-4-yl]indole-1-carboxylate Openeye Name: tert-butyl 2-[1-(p-tolylsulfonyl)indol-4-yl]indole-1-carboxylate CAS Name: 2-[1-(4-methylphenyl)sulfonyl-4-indolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(4-methylphenyl)sulfonylindol-4-yl]indole-1-carboxylate Traditional Name: 2-(1-tosylindol-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C28H26N2O4S MolecularWeight: 486.58204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)C4=CC5=CC=CC=C5N4C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CC=C32)C4=CC5=CC=CC=C5N4C(=O)OC(C)(C)C

InChI

InChI=1S/C28H26N2O4S/c1-19-12-14-21(15-13-19)35(32,33)29-17-16-23-22(9-7-11-25(23)29)26-18-20-8-5-6-10-24(20)30(26)27(31)34-28(2,3)4/h5-18H,1-4H3