4-[5-(2-azanylethylsulfonyl)isoquinolin-7-yl]phenol

Systemtic Name: 4-[5-(2-azanylethylsulfonyl)isoquinolin-7-yl]phenol Openeye Name: 4-[5-(2-aminoethylsulfonyl)-7-isoquinolyl]phenol CAS Name: 4-[5-(2-aminoethylsulfonyl)-7-isoquinolinyl]phenol IUPAC Name: 4-[5-(2-aminoethylsulfonyl)isoquinolin-7-yl]phenol Traditional Name: 4-(5-tauryl-7-isoquinolyl)phenol Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)CCN)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=C3C=CN=CC3=C2)S(=O)(=O)CCN)O

InChI

InChI=1S/C17H16N2O3S/c18-6-8-23(21,22)17-10-13(12-1-3-15(20)4-2-12)9-14-11-19-7-5-16(14)17/h1-5,7,9-11,20H,6,8,18H2