ethyl 6-(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-4-(phenylsulfonyl)indole-3-carboxylate

Systemtic Name: ethyl 6-(dimethylaminomethyl)-1,2-dimethyl-5-oxidanyl-4-(phenylsulfonyl)indole-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylate CAS Name: 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate Traditional Name: 4-besyl-6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-6-29-22(26)18-14(2)24(5)17-12-15(13-23(3)4)20(25)21(19(17)18)30(27,28)16-10-8-7-9-11-16/h7-12,25H,6,13H2,1-5H3