N-butyl-2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: N-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: N-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-(3,4-dimethyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: N-butyl-2-[[2-(N-mesyl-3,4-dimethyl-anilino)acetyl]amino]benzamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S/c1-5-6-13-23-22(27)19-9-7-8-10-20(19)24-21(26)15-25(30(4,28)29)18-12-11-16(2)17(3)14-18/h7-12,14H,5-6,13,15H2,1-4H3,(H,23,27)(H,24,26)