N-[3-(3-methylphenoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[3-(3-methylphenoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: 1-mesyl-N-[3-(3-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-6-3-8-19(14-16)27-13-5-11-22-21(24)18-9-10-20-17(15-18)7-4-12-23(20)28(2,25)26/h3,6,8-10,14-15H,4-5,7,11-13H2,1-2H3,(H,22,24)