2-[5-[(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)carbamoyl]pyridin-2-yl]sulfonylethanoic acid

Systemtic Name: 2-[5-[(2-morpholin-4-yl-2-pyridin-3-yl-ethyl)carbamoyl]pyridin-2-yl]sulfonylethanoic acid Openeye Name: 2-[[5-[[2-morpholino-2-(3-pyridyl)ethyl]carbamoyl]-2-pyridyl]sulfonyl]acetic acid CAS Name: 2-[[5-[[[2-(4-morpholinyl)-2-(3-pyridinyl)ethyl]amino]-oxomethyl]-2-pyridinyl]sulfonyl]acetic acid IUPAC Name: 2-[5-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamoyl]pyridin-2-yl]sulfonylacetic acid Traditional Name: 2-[[5-[[2-morpholino-2-(3-pyridyl)ethyl]carbamoyl]-2-pyridyl]sulfonyl]acetic acid Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C2=CN=C(C=C2)S(=O)(=O)CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1COCCN1C(CNC(=O)C2=CN=C(C=C2)S(=O)(=O)CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C19H22N4O6S/c24-18(25)13-30(27,28)17-4-3-15(11-21-17)19(26)22-12-16(14-2-1-5-20-10-14)23-6-8-29-9-7-23/h1-5,10-11,16H,6-9,12-13H2,(H,22,26)(H,24,25)