ethyl 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-methylsulfonyl-piperazine-1-carboxylate

Systemtic Name: ethyl 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-methylsulfonyl-piperazine-1-carboxylate Openeye Name: ethyl 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-methylsulfonyl-piperazine-1-carboxylate CAS Name: 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-methylsulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-methylsulfonylpiperazine-1-carboxylate Traditional Name: 3-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-4-mesyl-piperazine-1-carboxylic acid ethyl ester Formula: C20H30N4O4S MolecularWeight: 422.5416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(C(C1)C2=CC3=C(C=C2)NC=C3CCN(C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(C(C1)C2=CC3=C(C=C2)NC=C3CCN(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H30N4O4S/c1-5-28-20(25)23-10-11-24(29(4,26)27)19(14-23)15-6-7-18-17(12-15)16(13-21-18)8-9-22(2)3/h6-7,12-13,19,21H,5,8-11,14H2,1-4H3