2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-oxidanyl-3-(4-phenethyloxyphenyl)propanamide

Systemtic Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-oxidanyl-3-(4-phenethyloxyphenyl)propanamide Openeye Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-phenethyloxyphenyl)propanehydroxamic acid CAS Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-N-hydroxy-3-(4-phenethyloxyphenyl)propanamide IUPAC Name: 2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-hydroxy-3-(4-phenethyloxyphenyl)propanamide Traditional Name: 2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-(4-phenethyloxyphenyl)propanehydroxamic acid Formula: C31H37N3O5S3 MolecularWeight: 627.83758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)OCCC4=CC=CC=C4)C(=O)NO

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)OCCC4=CC=CC=C4)C(=O)NO

InChI

InChI=1S/C31H37N3O5S3/c1-2-3-4-5-9-20-40-31-32-27-17-16-26(22-29(27)41-31)42(37,38)34-28(30(35)33-36)21-24-12-14-25(15-13-24)39-19-18-23-10-7-6-8-11-23/h6-8,10-17,22,28,34,36H,2-5,9,18-21H2,1H3,(H,33,35)