4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[[4-(1-imidazolyl)phenyl]methyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(4-imidazol-1-ylbenzyl)butyramide Formula: C22H25ClN4O4S MolecularWeight: 476.9763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C22H25ClN4O4S/c1-31-21-10-9-19(14-20(21)23)27(32(2,29)30)12-3-4-22(28)25-15-17-5-7-18(8-6-17)26-13-11-24-16-26/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,25,28)