methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(pyridin-3-ylmethyl)indol-2-yl]propanoate

Systemtic Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(pyridin-3-ylmethyl)indol-2-yl]propanoate Openeye Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(3-pyridylmethyl)indol-2-yl]propanoate CAS Name: 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(3-pyridinylmethyl)-2-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(pyridin-3-ylmethyl)indol-2-yl]propanoate Traditional Name: 3-[4-[2-(dimethylsulfamoylamino)ethyl]-1-(3-pyridylmethyl)indol-2-yl]propionic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCCC1=C2C=C(N(C2=CC=C1)CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NCCC1=C2C=C(N(C2=CC=C1)CC3=CN=CC=C3)CCC(=O)OC

InChI

InChI=1S/C22H28N4O4S/c1-25(2)31(28,29)24-13-11-18-7-4-8-21-20(18)14-19(9-10-22(27)30-3)26(21)16-17-6-5-12-23-15-17/h4-8,12,14-15,24H,9-11,13,16H2,1-3H3