4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butanoic acid

Systemtic Name: 4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butanoic acid Openeye Name: 4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butanoic acid CAS Name: 4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butanoic acid IUPAC Name: 4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butanoic acid Traditional Name: 4-[3,4-dihydro-1H-isoquinolin-2-ylsulfonyl(methyl)amino]butyric acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C14H20N2O4S/c1-15(9-4-7-14(17)18)21(19,20)16-10-8-12-5-2-3-6-13(12)11-16/h2-3,5-6H,4,7-11H2,1H3,(H,17,18)