N-(isoquinolin-1-ylmethyl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(isoquinolin-1-ylmethyl)-3-methylsulfonyl-benzamide Openeye Name: N-(1-isoquinolylmethyl)-3-methylsulfonyl-benzamide CAS Name: N-(1-isoquinolinylmethyl)-3-methylsulfonylbenzamide IUPAC Name: N-(isoquinolin-1-ylmethyl)-3-methylsulfonylbenzamide Traditional Name: N-(1-isoquinolylmethyl)-3-mesyl-benzamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H16N2O3S/c1-24(22,23)15-7-4-6-14(11-15)18(21)20-12-17-16-8-3-2-5-13(16)9-10-19-17/h2-11H,12H2,1H3,(H,20,21)