N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(3-methylbutyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isopentyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isoamyl-2-keto-3,4-dihydroquinolin-6-yl)-1-mesyl-isonipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CCN1C(=O)CCC2=C1C=CC(=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-15(2)8-13-24-19-6-5-18(14-17(19)4-7-20(24)25)22-21(26)16-9-11-23(12-10-16)29(3,27)28/h5-6,14-16H,4,7-13H2,1-3H3,(H,22,26)