2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: 2-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: 2-[4-(3-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: 2-[[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: 2-[4-(3-methyl-N-methylsulfonylanilino)butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: 2-[4-(N-mesyl-3-methyl-anilino)butanoylamino]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NC[C@H]3CCCO3)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O5S/c1-18-8-5-9-19(16-18)27(33(2,30)31)14-6-13-23(28)26-22-12-4-3-11-21(22)24(29)25-17-20-10-7-15-32-20/h3-5,8-9,11-12,16,20H,6-7,10,13-15,17H2,1-2H3,(H,25,29)(H,26,28)/t20-/m1/s1