methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-2-(tosylamino)hexanoic acid methyl ester Formula: C23H29N3O6S2 MolecularWeight: 507.62286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)OC

InChI

InChI=1S/C23H29N3O6S2/c1-16-6-9-18(10-7-16)34(28,29)26-19(22(27)30-2)5-3-4-12-24-23(33)25-17-8-11-20-21(15-17)32-14-13-31-20/h6-11,15,19,26H,3-5,12-14H2,1-2H3,(H2,24,25,33)