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

Systemtic Name: ethyl 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonyl]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(CC1)S(=O)(=O)CC2=CC3=C(C=C2)NC=C3CCN(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC3=C(C=C2)NC=C3CCN(C)C

InChI

InChI=1S/C20H30N4O4S/c1-4-28-20(25)23-9-11-24(12-10-23)29(26,27)15-16-5-6-19-18(13-16)17(14-21-19)7-8-22(2)3/h5-6,13-14,21H,4,7-12,15H2,1-3H3