6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-sulfonic acid

Systemtic Name: 6-[4-(2-azanylpropan-2-yl)phenyl]isoquinoline-5-sulfonic acid Openeye Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-sulfonic acid CAS Name: 6-[4-(2-aminopropan-2-yl)phenyl]-5-isoquinolinesulfonic acid IUPAC Name: 6-[4-(2-aminopropan-2-yl)phenyl]isoquinoline-5-sulfonic acid Traditional Name: 6-[4-(1-amino-1-methyl-ethyl)phenyl]isoquinoline-5-sulfonic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)S(=O)(=O)O)N

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=C(C3=C(C=C2)C=NC=C3)S(=O)(=O)O)N

InChI

InChI=1S/C18H18N2O3S/c1-18(2,19)14-6-3-12(4-7-14)15-8-5-13-11-20-10-9-16(13)17(15)24(21,22)23/h3-11H,19H2,1-2H3,(H,21,22,23)