4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[2-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(2-imidazol-1-ylbenzyl)butyramide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCC2=CC=CC=C2N3C=CN=C3)S(=O)(=O)C

InChI

InChI=1S/C22H25ClN4O3S/c1-17-9-10-19(23)14-21(17)27(31(2,29)30)12-5-8-22(28)25-15-18-6-3-4-7-20(18)26-13-11-24-16-26/h3-4,6-7,9-11,13-14,16H,5,8,12,15H2,1-2H3,(H,25,28)