1-oxidanylnaphthalene-2-carboxylic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one

Systemtic Name: 1-oxidanylnaphthalene-2-carboxylic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one Openeye Name: 1-hydroxynaphthalene-2-carboxylic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one IUPAC Name: 1-hydroxynaphthalene-2-carboxylic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one Traditional Name: 1-hydroxy-2-naphthoic acid; 4-(2-phenethyloxyethylsulfonyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one Formula: C33H36N2O7S2 MolecularWeight: 636.77814

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCN1C2=C(C=CC=C2S(=O)(=O)CCOCCC3=CC=CC=C3)SC1=O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

Isomeric SMILES

CCCNCCN1C2=C(C=CC=C2S(=O)(=O)CCOCCC3=CC=CC=C3)SC1=O.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

InChI

InChI=1S/C22H28N2O4S2.C11H8O3/c1-2-12-23-13-14-24-21-19(29-22(24)25)9-6-10-20(21)30(26,27)17-16-28-15-11-18-7-4-3-5-8-18;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h3-10,23H,2,11-17H2,1H3;1-6,12H,(H,13,14)