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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)ethanamide Openeye Name: 2-[(3-chloro-4-methoxy-phenyl)sulfonyl-methyl-amino]-N-(3-imidazol-1-ylpropyl)acetamide CAS Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[3-(1-imidazolyl)propyl]acetamide IUPAC Name: 2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(3-imidazol-1-ylpropyl)acetamide Traditional Name: 2-[(3-chloro-4-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=CC(=C(C=C2)OC)Cl

Isomeric SMILES

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

InChI

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