2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-cyclohexyl-benzamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]-N-cyclohexyl-benzamide Openeye Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]-N-cyclohexyl-benzamide CAS Name: 2-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]-N-cyclohexylbenzamide IUPAC Name: 2-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]-N-cyclohexylbenzamide Traditional Name: 2-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]-N-cyclohexyl-benzamide Formula: C25H32ClN3O5S MolecularWeight: 522.05668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NC2=CC=CC=C2C(=O)NC3CCCCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C25H32ClN3O5S/c1-34-23-15-14-19(17-21(23)26)29(35(2,32)33)16-8-13-24(30)28-22-12-7-6-11-20(22)25(31)27-18-9-4-3-5-10-18/h6-7,11-12,14-15,17-18H,3-5,8-10,13,16H2,1-2H3,(H,27,31)(H,28,30)