3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]propyl-(phenylmethyl)carbamoperoxoic acid

Systemtic Name: 3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]propyl-(phenylmethyl)carbamoperoxoic acid Openeye Name: 3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]propyl-benzyl-carbamoperoxoic acid CAS Name: 3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]propyl-(phenylmethyl)carbamoperoxoic acid IUPAC Name: 3-[1,3-benzothiazol-6-ylsulfonyl(2-methylpropyl)amino]propyl-benzylcarbamoperoxoic acid Traditional Name: 3-[1,3-benzothiazol-6-ylsulfonyl(isobutyl)amino]propyl-benzyl-carbamoperoxoic acid Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OO)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)CN(CCCN(CC1=CC=CC=C1)C(=O)OO)S(=O)(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C22H27N3O5S2/c1-17(2)14-25(32(28,29)19-9-10-20-21(13-19)31-16-23-20)12-6-11-24(22(26)30-27)15-18-7-4-3-5-8-18/h3-5,7-10,13,16-17,27H,6,11-12,14-15H2,1-2H3