diethyl-[(2S)-3-methyl-1-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]butan-2-yl]azanium

Systemtic Name: diethyl-[(2S)-3-methyl-1-[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbonylamino]butan-2-yl]azanium Openeye Name: diethyl-[(1S)-2-methyl-1-[[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]propyl]ammonium CAS Name: diethyl-[(2S)-3-methyl-1-[[(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-oxomethyl]amino]butan-2-yl]ammonium IUPAC Name: diethyl-[(2S)-3-methyl-1-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]butan-2-yl]azanium Traditional Name: diethyl-[(1S)-1-[[(1-mesyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]methyl]-2-methyl-propyl]ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C20H33N3O3S/c1-6-22(7-2)19(15(3)4)14-21-20(24)17-10-11-18-16(13-17)9-8-12-23(18)27(5,25)26/h10-11,13,15,19H,6-9,12,14H2,1-5H3,(H,21,24)/p+1/t19-/m1/s1