3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)NCCC1=C(C2=CC=CC=C2N1CCC(=O)O)CC3=CN=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)NCCC1=C(C2=CC=CC=C2N1CCC(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O4S/c1-24(2)30(28,29)23-12-9-20-18(14-16-6-5-11-22-15-16)17-7-3-4-8-19(17)25(20)13-10-21(26)27/h3-8,11,15,23H,9-10,12-14H2,1-2H3,(H,26,27)