tert-butyl 7-ethyl-2-[5-phenylmethoxy-1-(phenylsulfonyl)indol-2-yl]carbonyl-indole-1-carboxylate

Systemtic Name: tert-butyl 7-ethyl-2-[5-phenylmethoxy-1-(phenylsulfonyl)indol-2-yl]carbonyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[1-(benzenesulfonyl)-5-benzyloxy-indole-2-carbonyl]-7-ethyl-indole-1-carboxylate CAS Name: 2-[[1-(benzenesulfonyl)-5-phenylmethoxy-2-indolyl]-oxomethyl]-7-ethyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(benzenesulfonyl)-5-phenylmethoxyindole-2-carbonyl]-7-ethylindole-1-carboxylate Traditional Name: 2-(5-benzoxy-1-besyl-indole-2-carbonyl)-7-ethyl-indole-1-carboxylic acid tert-butyl ester Formula: C37H34N2O6S MolecularWeight: 634.74066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N(C(=C2)C(=O)C3=CC4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)OCC6=CC=CC=C6)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC2=C1N(C(=C2)C(=O)C3=CC4=C(N3S(=O)(=O)C5=CC=CC=C5)C=CC(=C4)OCC6=CC=CC=C6)C(=O)OC(C)(C)C

InChI

InChI=1S/C37H34N2O6S/c1-5-26-15-12-16-27-22-32(38(34(26)27)36(41)45-37(2,3)4)35(40)33-23-28-21-29(44-24-25-13-8-6-9-14-25)19-20-31(28)39(33)46(42,43)30-17-10-7-11-18-30/h6-23H,5,24H2,1-4H3