N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-(3-methyl-4-pyrrolidino-phenyl)-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)N(CCC3)S(=O)(=O)C)N4CCCC4

InChI

InChI=1S/C22H27N3O3S/c1-16-14-19(8-10-20(16)24-11-3-4-12-24)23-22(26)18-7-9-21-17(15-18)6-5-13-25(21)29(2,27)28/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,23,26)