2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-cyclohexyl-benzamide

Systemtic Name: 2-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]-N-cyclohexyl-benzamide Openeye Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]-N-cyclohexyl-benzamide CAS Name: 2-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-cyclohexylbenzamide IUPAC Name: 2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]-N-cyclohexylbenzamide Traditional Name: 2-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]-N-cyclohexyl-benzamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C25H32ClN3O4S/c1-18-14-15-19(26)17-23(18)29(34(2,32)33)16-8-13-24(30)28-22-12-7-6-11-21(22)25(31)27-20-9-4-3-5-10-20/h6-7,11-12,14-15,17,20H,3-5,8-10,13,16H2,1-2H3,(H,27,31)(H,28,30)