4-[isoquinolin-5-ylsulfonyl(methyl)amino]butanoic acid

Systemtic Name: 4-[isoquinolin-5-ylsulfonyl(methyl)amino]butanoic acid Openeye Name: 4-[5-isoquinolylsulfonyl(methyl)amino]butanoic acid CAS Name: 4-[5-isoquinolinylsulfonyl(methyl)amino]butanoic acid IUPAC Name: 4-[isoquinolin-5-ylsulfonyl(methyl)amino]butanoic acid Traditional Name: 4-[5-isoquinolylsulfonyl(methyl)amino]butyric acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CN(CCCC(=O)O)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C14H16N2O4S/c1-16(9-3-6-14(17)18)21(19,20)13-5-2-4-11-10-15-8-7-12(11)13/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,17,18)