N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-14(2)13-28-20-9-7-17(12-18(20)22)23-21(25)16-6-8-19-15(11-16)5-4-10-24(19)29(3,26)27/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25)