4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide

Systemtic Name: 4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 4-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 4-(5-chloro-N-mesyl-2-methyl-anilino)-N-(3-imidazol-1-ylpropyl)butyramide Formula: C18H25ClN4O3S MolecularWeight: 412.9341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C

InChI

InChI=1S/C18H25ClN4O3S/c1-15-6-7-16(19)13-17(15)23(27(2,25)26)11-3-5-18(24)21-8-4-10-22-12-9-20-14-22/h6-7,9,12-14H,3-5,8,10-11H2,1-2H3,(H,21,24)