N-butan-2-yl-2-[2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[(3-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(3-chloro-2-methyl-N-methylsulfonyl-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(3-chloro-N-mesyl-2-methyl-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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