N-[(2,3-dimethylphenyl)methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[(2,3-dimethylphenyl)methyl]isoquinoline-5-sulfonamide Openeye Name: N-[(2,3-dimethylphenyl)methyl]isoquinoline-5-sulfonamide CAS Name: N-[(2,3-dimethylphenyl)methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[(2,3-dimethylphenyl)methyl]isoquinoline-5-sulfonamide Traditional Name: N-(2,3-dimethylbenzyl)isoquinoline-5-sulfonamide Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C

InChI

InChI=1S/C18H18N2O2S/c1-13-5-3-6-15(14(13)2)12-20-23(21,22)18-8-4-7-16-11-19-10-9-17(16)18/h3-11,20H,12H2,1-2H3