2-[(5-chloranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-2-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[(5-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[(5-chloro-2-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)acetamide Formula: C16H21ClN4O4S MolecularWeight: 400.88034

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCCN1C=CN=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CN(CC(=O)NCCCN1C=CN=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC

InChI

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