2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]propanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)CC#N)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H20ClN3O4S/c1-13(19(24)22-15-6-4-14(5-7-15)10-11-21)23(28(3,25)26)16-8-9-18(27-2)17(20)12-16/h4-9,12-13H,10H2,1-3H3,(H,22,24)