2-chloranyl-N-(3-imidazol-1-ylpropyl)-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(3-imidazol-1-ylpropyl)-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-morpholinosulfonyl-benzamide CAS Name: 2-chloro-N-[3-(1-imidazolyl)propyl]-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-morpholin-4-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(3-imidazol-1-ylpropyl)-5-morpholinosulfonyl-benzamide Formula: C17H21ClN4O4S MolecularWeight: 412.89104

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C17H21ClN4O4S/c18-16-3-2-14(27(24,25)22-8-10-26-11-9-22)12-15(16)17(23)20-4-1-6-21-7-5-19-13-21/h2-3,5,7,12-13H,1,4,6,8-11H2,(H,20,23)