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

Systemtic Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-oxidanyl-3-(4-prop-2-ynoxyphenyl)propanamide Openeye Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-3-(4-prop-2-ynoxyphenyl)propanehydroxamic acid CAS Name: (2R)-2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-N-hydroxy-3-(4-prop-2-ynoxyphenyl)propanamide IUPAC Name: (2R)-2-[(2-heptylsulfanyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-hydroxy-3-(4-prop-2-ynoxyphenyl)propanamide Traditional Name: (2R)-2-[[2-(heptylthio)-1,3-benzothiazol-6-yl]sulfonylamino]-3-(4-propargyloxyphenyl)propanehydroxamic acid Formula: C26H31N3O5S3 MolecularWeight: 561.73644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)NC(CC3=CC=C(C=C3)OCC#C)C(=O)NO

Isomeric SMILES

CCCCCCCSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N[C@H](CC3=CC=C(C=C3)OCC#C)C(=O)NO

InChI

InChI=1S/C26H31N3O5S3/c1-3-5-6-7-8-16-35-26-27-22-14-13-21(18-24(22)36-26)37(32,33)29-23(25(30)28-31)17-19-9-11-20(12-10-19)34-15-4-2/h2,9-14,18,23,29,31H,3,5-8,15-17H2,1H3,(H,28,30)/t23-/m1/s1