(2S)-2-azanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-butan-1-one

Systemtic Name: (2S)-2-azanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-butan-1-one Openeye Name: (2S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-butan-1-one CAS Name: (2S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonyl-1-butanone IUPAC Name: (2S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfonylbutan-1-one Traditional Name: (2S)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-mesyl-butan-1-one Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCC2=CC=CC=C2C1)N

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)N1CCC2=CC=CC=C2C1)N

InChI

InChI=1S/C14H20N2O3S/c1-20(18,19)9-7-13(15)14(17)16-8-6-11-4-2-3-5-12(11)10-16/h2-5,13H,6-10,15H2,1H3/t13-/m0/s1