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

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 2-[2-(2,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-(2-methoxyethyl)benzamide CAS Name: 2-[[2-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[2-(2,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 2-[2-(N-mesyl-2,5-dimethyl-anilino)propanoylamino]-N-(2-methoxyethyl)benzamide Formula: C22H29N3O5S MolecularWeight: 447.54776

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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)NCCOC)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-15-10-11-16(2)20(14-15)25(31(5,28)29)17(3)21(26)24-19-9-7-6-8-18(19)22(27)23-12-13-30-4/h6-11,14,17H,12-13H2,1-5H3,(H,23,27)(H,24,26)