3-[3-[ethyl(pyridin-3-ylsulfonyl)amino]indol-1-yl]propanoic acid

Systemtic Name: 3-[3-[ethyl(pyridin-3-ylsulfonyl)amino]indol-1-yl]propanoic acid Openeye Name: 3-[3-[ethyl(3-pyridylsulfonyl)amino]indol-1-yl]propanoic acid CAS Name: 3-[3-[ethyl(3-pyridinylsulfonyl)amino]-1-indolyl]propanoic acid IUPAC Name: 3-[3-[ethyl(pyridin-3-ylsulfonyl)amino]indol-1-yl]propanoic acid Traditional Name: 3-[3-[ethyl(3-pyridylsulfonyl)amino]indol-1-yl]propionic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCN(C1=CN(C2=CC=CC=C21)CCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O4S/c1-2-21(26(24,25)14-6-5-10-19-12-14)17-13-20(11-9-18(22)23)16-8-4-3-7-15(16)17/h3-8,10,12-13H,2,9,11H2,1H3,(H,22,23)