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

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(3-imidazol-1-ylpropyl)propanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(3-imidazol-1-ylpropyl)propanamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[3-(1-imidazolyl)propyl]propanamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-(3-imidazol-1-ylpropyl)propionamide Formula: C17H23ClN4O4S MolecularWeight: 414.90692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O4S/c1-13(17(23)20-7-4-9-21-10-8-19-12-21)22(27(3,24)25)14-5-6-16(26-2)15(18)11-14/h5-6,8,10-13H,4,7,9H2,1-3H3,(H,20,23)