3-methyl-2-[(2-octylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-oxidanyl-butanamide

Systemtic Name: 3-methyl-2-[(2-octylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-N-oxidanyl-butanamide Openeye Name: 2-[benzyl-[(2-octylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-methyl-butanehydroxamic acid CAS Name: N-hydroxy-3-methyl-2-[[2-(octylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]butanamide IUPAC Name: 2-[benzyl-[(2-octylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-hydroxy-3-methylbutanamide Traditional Name: 2-[benzyl-[[2-(octylthio)-1,3-benzothiazol-6-yl]sulfonyl]amino]-3-methyl-butanehydroxamic acid Formula: C27H37N3O4S3 MolecularWeight: 563.79538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C)C)C(=O)NO

Isomeric SMILES

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(C(C)C)C(=O)NO

InChI

InChI=1S/C27H37N3O4S3/c1-4-5-6-7-8-12-17-35-27-28-23-16-15-22(18-24(23)36-27)37(33,34)30(19-21-13-10-9-11-14-21)25(20(2)3)26(31)29-32/h9-11,13-16,18,20,25,32H,4-8,12,17,19H2,1-3H3,(H,29,31)