ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 2-(morpholinomethyl)-1-phenyl-5-(p-tolylsulfonyloxy)indole-3-carboxylate CAS Name: 5-(4-methylphenyl)sulfonyloxy-2-(4-morpholinylmethyl)-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methylphenyl)sulfonyloxy-2-(morpholin-4-ylmethyl)-1-phenylindole-3-carboxylate Traditional Name: 2-(morpholinomethyl)-1-phenyl-5-tosyloxy-indole-3-carboxylic acid ethyl ester Formula: C29H30N2O6S MolecularWeight: 534.6233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CN5CCOCC5

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4)CN5CCOCC5

InChI

InChI=1S/C29H30N2O6S/c1-3-36-29(32)28-25-19-23(37-38(33,34)24-12-9-21(2)10-13-24)11-14-26(25)31(22-7-5-4-6-8-22)27(28)20-30-15-17-35-18-16-30/h4-14,19H,3,15-18,20H2,1-2H3