4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[5-(diethylsulfamoyl)-2-hydroxy-phenyl]butyramide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O4S2/c1-3-24(4-2)30(27,28)15-12-13-18(25)17(14-15)22-20(26)10-7-11-21-23-16-8-5-6-9-19(16)29-21/h5-6,8-9,12-14,25H,3-4,7,10-11H2,1-2H3,(H,22,26)