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

Systemtic Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Openeye Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)-1H-indol-2-yl]propanoate CAS Name: 3-[4-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridinylmethyl)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)-1H-indol-2-yl]propanoate Traditional Name: 3-[4-[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=C2C(=CC=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

Isomeric SMILES

CN(C)S(=O)(=O)NCCC1=C2C(=CC=C1)NC(=C2CC3=CN=CC=C3)CCC(=O)OC

InChI

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