1,3-thiazol-5-ylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoate

Systemtic Name: 1,3-thiazol-5-ylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoate Openeye Name: thiazol-5-ylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]propyl]-N-benzyl-carbamoperoxoate CAS Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-(phenylmethyl)carbamoperoxoic acid 5-thiazolylmethyl ester IUPAC Name: 1,3-thiazol-5-ylmethyl N-[3-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]propyl]-N-benzylcarbamoperoxoate Traditional Name: N-[3-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]propyl]-N-benzyl-carbamoperoxoic acid thiazol-5-ylmethyl ester Formula: C26H31N3O7S2 MolecularWeight: 561.67024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OOCC2=CN=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OOCC2=CN=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H31N3O7S2/c1-20(2)15-29(38(31,32)23-9-10-24-25(13-23)34-19-33-24)12-6-11-28(16-21-7-4-3-5-8-21)26(30)36-35-17-22-14-27-18-37-22/h3-5,7-10,13-14,18,20H,6,11-12,15-17,19H2,1-2H3