methyl 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate

Systemtic Name: methyl 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: methyl 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propionic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCCC1=CC2=C(C=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NCCC1=CC2=C(C=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

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