(2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-propanoic acid

Systemtic Name: (2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-propanoic acid Openeye Name: (2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-propanoic acid CAS Name: (2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylpropanoic acid IUPAC Name: (2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methylpropanoic acid Traditional Name: (2S)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methyl-propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-10(13(15)16)9-19(17,18)14-7-6-11-4-2-3-5-12(11)8-14/h2-5,10H,6-9H2,1H3,(H,15,16)/t10-/m1/s1