(2-isoquinolin-1-ylhydrazinyl) 4-methylbenzenesulfonate

Systemtic Name: (2-isoquinolin-1-ylhydrazinyl) 4-methylbenzenesulfonate Openeye Name: [2-(1-isoquinolyl)hydrazino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-isoquinolinylhydrazo) ester IUPAC Name: (2-isoquinolin-1-ylhydrazinyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [N'-(1-isoquinolyl)hydrazino] ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONNC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONNC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C16H15N3O3S/c1-12-6-8-14(9-7-12)23(20,21)22-19-18-16-15-5-3-2-4-13(15)10-11-17-16/h2-11,19H,1H3,(H,17,18)