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

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)butanamide Openeye Name: 4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)butanamide CAS Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]butanamide IUPAC Name: 4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)butanamide Traditional Name: 4-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-imidazol-1-ylpropyl)butyramide Formula: C18H25ClN4O4S MolecularWeight: 428.9335

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2C=CN=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H25ClN4O4S/c1-27-17-7-6-15(13-16(17)19)23(28(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)