5-azanyl-4-pentyl-2-(phenylcarbonyl)-6-propan-2-yl-pyridine-3-sulfonic acid

Systemtic Name: 5-azanyl-4-pentyl-2-(phenylcarbonyl)-6-propan-2-yl-pyridine-3-sulfonic acid Openeye Name: 5-amino-2-benzoyl-6-isopropyl-4-pentyl-pyridine-3-sulfonic acid CAS Name: 5-amino-2-benzoyl-4-pentyl-6-propan-2-yl-3-pyridinesulfonic acid IUPAC Name: 5-amino-2-benzoyl-4-pentyl-6-propan-2-ylpyridine-3-sulfonic acid Traditional Name: 5-amino-4-amyl-2-benzoyl-6-isopropyl-pyridine-3-sulfonic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=NC(=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)C(C)C)N

Isomeric SMILES

CCCCCC1=C(C(=NC(=C1S(=O)(=O)O)C(=O)C2=CC=CC=C2)C(C)C)N

InChI

InChI=1S/C20H26N2O4S/c1-4-5-7-12-15-16(21)17(13(2)3)22-18(20(15)27(24,25)26)19(23)14-10-8-6-9-11-14/h6,8-11,13H,4-5,7,12,21H2,1-3H3,(H,24,25,26)