2-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[4-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NCC3CCCO3)S(=O)(=O)C)C

InChI

InChI=1S/C25H33N3O5S/c1-18-12-13-20(16-19(18)2)28(34(3,31)32)14-6-11-24(29)27-23-10-5-4-9-22(23)25(30)26-17-21-8-7-15-33-21/h4-5,9-10,12-13,16,21H,6-8,11,14-15,17H2,1-3H3,(H,26,30)(H,27,29)