4-[4-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide

Systemtic Name: 4-[4-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide Openeye Name: 4-[4-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 4-[[4-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: 4-[4-(3-chloro-N-mesyl-anilino)butanoylamino]benzamide Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)C(=O)N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N(CCCC(=O)NC1=CC=C(C=C1)C(=O)N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-27(25,26)22(16-5-2-4-14(19)12-16)11-3-6-17(23)21-15-9-7-13(8-10-15)18(20)24/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,20,24)(H,21,23)