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

Systemtic Name: ethyl 6-(dimethylaminomethyl)-1,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-oxidanyl-indole-3-carboxylate hydrochloride Openeye Name: ethyl 6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-4-(p-tolylsulfonyl)indole-3-carboxylate hydrochloride CAS Name: 6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-4-(4-methylphenyl)sulfonyl-3-indolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-4-(4-methylphenyl)sulfonylindole-3-carboxylate hydrochloride Traditional Name: 6-(dimethylaminomethyl)-5-hydroxy-1,2-dimethyl-4-tosyl-indole-3-carboxylic acid ethyl ester hydrochloride Formula: C23H29ClN2O5S MolecularWeight: 481.00476

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=C(C=C3)C)C)C.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S.ClH/c1-7-30-23(27)19-15(3)25(6)18-12-16(13-24(4)5)21(26)22(20(18)19)31(28,29)17-10-8-14(2)9-11-17;/h8-12,26H,7,13H2,1-6H3;1H