N-butyl-2-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: N-butyl-2-[[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: N-butyl-2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: N-butyl-2-[[2-(5-chloro-N-mesyl-2-methyl-anilino)acetyl]amino]benzamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O4S/c1-4-5-12-23-21(27)17-8-6-7-9-18(17)24-20(26)14-25(30(3,28)29)19-13-16(22)11-10-15(19)2/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,27)(H,24,26)