2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 2-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 2-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 2-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]-N-(tetrahydrofurfuryl)benzamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O5S/c1-16-11-12-17(2)22(14-16)27(33(4,30)31)18(3)23(28)26-21-10-6-5-9-20(21)24(29)25-15-19-8-7-13-32-19/h5-6,9-12,14,18-19H,7-8,13,15H2,1-4H3,(H,25,29)(H,26,28)