ethyl 6-chloranyl-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 6-chloranyl-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxy-2-indolecarboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxyindole-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylic acid ethyl ester; tosylic acid Formula: C24H31ClN2O6S MolecularWeight: 511.03074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(N(C2=C1C=CC(=C2)Cl)CCN(C)C)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC1=C(N(C2=C1C=CC(=C2)Cl)CCN(C)C)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H23ClN2O3.C7H8O3S/c1-5-22-16-13-8-7-12(18)11-14(13)20(10-9-19(3)4)15(16)17(21)23-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h7-8,11H,5-6,9-10H2,1-4H3;2-5H,1H3,(H,8,9,10)