3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[5-[2-(dimethylsulfamoylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[5-[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=CC2=C(C=C1)N(C=C2CC3=CN=CC=C3)CCC(=O)O

Isomeric SMILES

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

InChI

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