N-oxidanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-3-phenyl-propanamide

Systemtic Name: N-oxidanyl-2-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl-(phenylmethyl)amino]-3-phenyl-propanamide Openeye Name: 2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-3-phenyl-propanehydroxamic acid CAS Name: N-hydroxy-2-[[2-(pentylthio)-1,3-benzothiazol-6-yl]sulfonyl-(phenylmethyl)amino]-3-phenylpropanamide IUPAC Name: 2-[benzyl-[(2-pentylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-hydroxy-3-phenylpropanamide Traditional Name: 2-[[2-(amylthio)-1,3-benzothiazol-6-yl]sulfonyl-benzyl-amino]-3-phenyl-propanehydroxamic acid Formula: C28H31N3O4S3 MolecularWeight: 569.75844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)NO

Isomeric SMILES

CCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C28H31N3O4S3/c1-2-3-10-17-36-28-29-24-16-15-23(19-26(24)37-28)38(34,35)31(20-22-13-8-5-9-14-22)25(27(32)30-33)18-21-11-6-4-7-12-21/h4-9,11-16,19,25,33H,2-3,10,17-18,20H2,1H3,(H,30,32)