1-chloranyl-3-(phenylsulfonylmethyl)isoquinoline

Systemtic Name: 1-chloranyl-3-(phenylsulfonylmethyl)isoquinoline Openeye Name: 3-(benzenesulfonylmethyl)-1-chloro-isoquinoline CAS Name: 3-(benzenesulfonylmethyl)-1-chloroisoquinoline IUPAC Name: 3-(benzenesulfonylmethyl)-1-chloroisoquinoline Traditional Name: 3-(besylmethyl)-1-chloro-isoquinoline Formula: C16H12ClNO2S MolecularWeight: 317.78998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C16H12ClNO2S/c17-16-15-9-5-4-6-12(15)10-13(18-16)11-21(19,20)14-7-2-1-3-8-14/h1-10H,11H2