N-[2-[4-[1-cyclopropyl-4-(oxidanylcarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-[2-[4-[1-cyclopropyl-4-(oxidanylcarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-[4-[[1-cyclopropyl-4-(hydroxycarbamoyl)-4-piperidyl]sulfonyl]phenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-[[4-[[1-cyclopropyl-4-[(hydroxyamino)-oxomethyl]-4-piperidinyl]sulfonyl]phenyl]thio]ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-[4-[1-cyclopropyl-4-(hydroxycarbamoyl)piperidin-4-yl]sulfonylphenyl]sulfanylethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-[[4-[[1-cyclopropyl-4-(hydroxycarbamoyl)-4-piperidyl]sulfonyl]phenyl]thio]ethyl]-1,3-benzothiazole-2-carboxamide Formula: C25H28N4O5S3 MolecularWeight: 560.70862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CCC(CC2)(C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)SCCNC(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC1N2CCC(CC2)(C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)SCCNC(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H28N4O5S3/c30-22(23-27-20-3-1-2-4-21(20)36-23)26-13-16-35-18-7-9-19(10-8-18)37(33,34)25(24(31)28-32)11-14-29(15-12-25)17-5-6-17/h1-4,7-10,17,32H,5-6,11-16H2,(H,26,30)(H,28,31)