2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-imidazol-1-ylpropyl)acetamide Formula: C16H21ClN4O4S MolecularWeight: 400.88034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O4S/c1-25-15-5-4-13(10-14(15)17)21(26(2,23)24)11-16(22)19-6-3-8-20-9-7-18-12-20/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3,(H,19,22)