4-chloranylbenzenesulfonic acid; 4-(2-hydroxyethyl)-N-phenethyl-octanamide

Systemtic Name: 4-chloranylbenzenesulfonic acid; 4-(2-hydroxyethyl)-N-phenethyl-octanamide Openeye Name: 4-chlorobenzenesulfonic acid; 4-(2-hydroxyethyl)-N-phenethyl-octanamide CAS Name: 4-chlorobenzenesulfonic acid; 4-(2-hydroxyethyl)-N-phenethyloctanamide IUPAC Name: 4-chlorobenzenesulfonic acid; 4-(2-hydroxyethyl)-N-phenethyloctanamide Traditional Name: 4-chlorobesylic acid; 4-(2-hydroxyethyl)-N-phenethyl-caprylamide Formula: C24H34ClNO5S MolecularWeight: 484.04846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)NCCC1=CC=CC=C1)CCO.C1=CC(=CC=C1S(=O)(=O)O)Cl

Isomeric SMILES

CCCCC(CCC(=O)NCCC1=CC=CC=C1)CCO.C1=CC(=CC=C1S(=O)(=O)O)Cl

InChI

InChI=1S/C18H29NO2.C6H5ClO3S/c1-2-3-7-17(13-15-20)10-11-18(21)19-14-12-16-8-5-4-6-9-16;7-5-1-3-6(4-2-5)11(8,9)10/h4-6,8-9,17,20H,2-3,7,10-15H2,1H3,(H,19,21);1-4H,(H,8,9,10)