1-oxidanylnaphthalene-2-carboxylic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one

Systemtic Name: 1-oxidanylnaphthalene-2-carboxylic acid; 4-oxidanyl-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Openeye Name: 1-hydroxynaphthalene-2-carboxylic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one IUPAC Name: 1-hydroxynaphthalene-2-carboxylic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Traditional Name: 1-hydroxy-2-naphthoic acid; 4-hydroxy-7-[2-[3-(2-phenethyloxyethylsulfonyl)propylamino]ethyl]-3H-1,3-benzothiazol-2-one Formula: C33H36N2O8S2 MolecularWeight: 652.77754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOCCS(=O)(=O)CCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

InChI

InChI=1S/C22H28N2O5S2.C11H8O3/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-12-23-11-4-15-31(27,28)16-14-29-13-10-17-5-2-1-3-6-17;12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-3,5-8,23,25H,4,9-16H2,(H,24,26);1-6,12H,(H,13,14)