methyl 5-methoxy-1-phenyl-3-propan-2-ylsulfonyl-indole-2-carboxylate

Systemtic Name: methyl 5-methoxy-1-phenyl-3-propan-2-ylsulfonyl-indole-2-carboxylate Openeye Name: methyl 3-isopropylsulfonyl-5-methoxy-1-phenyl-indole-2-carboxylate CAS Name: 5-methoxy-1-phenyl-3-propan-2-ylsulfonyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-methoxy-1-phenyl-3-propan-2-ylsulfonylindole-2-carboxylate Traditional Name: 3-isopropylsulfonyl-5-methoxy-1-phenyl-indole-2-carboxylic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-13(2)27(23,24)19-16-12-15(25-3)10-11-17(16)21(18(19)20(22)26-4)14-8-6-5-7-9-14/h5-13H,1-4H3