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

Systemtic Name: 4-[4-[(3-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzamide Openeye Name: 4-[4-(3-methyl-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: 4-[[4-(3-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(3-methyl-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: 4-[4-(N-mesyl-3-methyl-anilino)butanoylamino]benzamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCC(=O)NC2=CC=C(C=C2)C(=O)N)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O4S/c1-14-5-3-6-17(13-14)22(27(2,25)26)12-4-7-18(23)21-16-10-8-15(9-11-16)19(20)24/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H2,20,24)(H,21,23)