2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfinylethanoyl-(4-methylphenyl)amino]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfinylethanoyl-(4-methylphenyl)amino]-N-cyclopentyl-ethanamide Openeye Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfinylacetyl]-4-methyl-anilino)-N-cyclopentyl-acetamide CAS Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinyl-1-oxoethyl]-4-methylanilino)-N-cyclopentylacetamide IUPAC Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfinylacetyl]-4-methylanilino)-N-cyclopentylacetamide Traditional Name: 2-(N-[2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]sulfinylacetyl]-4-methyl-anilino)-N-cyclopentyl-acetamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CS(=O)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NC2CCCC2)C(=O)CS(=O)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H29N3O6S/c1-17-6-9-20(10-7-17)28(13-23(29)26-18-4-2-3-5-18)25(31)15-35(32)14-24(30)27-19-8-11-21-22(12-19)34-16-33-21/h6-12,18H,2-5,13-16H2,1H3,(H,26,29)(H,27,30)