N,N-diethylethanamine; 2-(pyridin-3-ylcarbonylamino)ethanesulfonic acid

Systemtic Name: N,N-diethylethanamine; 2-(pyridin-3-ylcarbonylamino)ethanesulfonic acid Openeye Name: N,N-diethylethanamine; 2-(pyridine-3-carbonylamino)ethanesulfonic acid CAS Name: N,N-diethylethanamine; 2-[[oxo(3-pyridinyl)methyl]amino]ethanesulfonic acid IUPAC Name: N,N-diethylethanamine; 2-(pyridine-3-carbonylamino)ethanesulfonic acid Traditional Name: 2-nicotinamidoethanesulfonic acid; triethylamine Formula: C14H25N3O4S MolecularWeight: 331.431

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.C1=CC(=CN=C1)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

CCN(CC)CC.C1=CC(=CN=C1)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C8H10N2O4S.C6H15N/c11-8(7-2-1-3-9-6-7)10-4-5-15(12,13)14;1-4-7(5-2)6-3/h1-3,6H,4-5H2,(H,10,11)(H,12,13,14);4-6H2,1-3H3