N,N-diethylethanamine; 3-(pyridin-3-ylcarbonylamino)propane-1-sulfonic acid

Systemtic Name: N,N-diethylethanamine; 3-(pyridin-3-ylcarbonylamino)propane-1-sulfonic acid Openeye Name: N,N-diethylethanamine; 3-(pyridine-3-carbonylamino)propane-1-sulfonic acid CAS Name: N,N-diethylethanamine; 3-[[oxo(3-pyridinyl)methyl]amino]-1-propanesulfonic acid IUPAC Name: N,N-diethylethanamine; 3-(pyridine-3-carbonylamino)propane-1-sulfonic acid Traditional Name: 3-nicotinamidopropane-1-sulfonic acid; triethylamine Formula: C15H27N3O4S MolecularWeight: 345.45758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O4S.C6H15N/c12-9(8-3-1-4-10-7-8)11-5-2-6-16(13,14)15;1-4-7(5-2)6-3/h1,3-4,7H,2,5-6H2,(H,11,12)(H,13,14,15);4-6H2,1-3H3