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

Systemtic Name: N-[3-(diethylaminomethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Openeye Name: N-[3-(diethylaminomethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide CAS Name: N-[3-(diethylaminomethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide IUPAC Name: N-[3-(diethylaminomethyl)phenyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide Traditional Name: N-[3-(diethylaminomethyl)phenyl]-1-mesyl-3,4-dihydro-2H-quinoline-6-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-4-24(5-2)16-17-8-6-10-20(14-17)23-22(26)19-11-12-21-18(15-19)9-7-13-25(21)29(3,27)28/h6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3,(H,23,26)