2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-propan-2-yl-benzamide

Systemtic Name: 2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-N-propan-2-yl-benzamide Openeye Name: 2-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-N-isopropyl-benzamide CAS Name: 2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-propan-2-ylbenzamide IUPAC Name: 2-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoylamino]-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-2-[2-(N-mesyl-3,4-dimethyl-anilino)propanoylamino]benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-14(2)23-22(27)19-9-7-8-10-20(19)24-21(26)17(5)25(30(6,28)29)18-12-11-15(3)16(4)13-18/h7-14,17H,1-6H3,(H,23,27)(H,24,26)