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

Systemtic Name: 3-[2-[2-(methylsulfonylamino)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(methanesulfonamido)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propanoic acid CAS Name: 3-[2-[2-(methanesulfonamido)ethyl]-3-(3-pyridinylmethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[2-[2-(methanesulfonamido)ethyl]-3-(pyridin-3-ylmethyl)indol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(methanesulfonamido)ethyl]-3-(3-pyridylmethyl)indol-1-yl]propionic acid Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-28(26,27)22-11-8-19-17(13-15-5-4-10-21-14-15)16-6-2-3-7-18(16)23(19)12-9-20(24)25/h2-7,10,14,22H,8-9,11-13H2,1H3,(H,24,25)