1-[4-(isoquinolin-1-ylmethyl)phenyl]-N-methyl-but-3-yne-1-sulfonamide

Systemtic Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]-N-methyl-but-3-yne-1-sulfonamide Openeye Name: 1-[4-(1-isoquinolylmethyl)phenyl]-N-methyl-but-3-yne-1-sulfonamide CAS Name: 1-[4-(1-isoquinolinylmethyl)phenyl]-N-methyl-3-butyne-1-sulfonamide IUPAC Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]-N-methylbut-3-yne-1-sulfonamide Traditional Name: 1-[4-(1-isoquinolylmethyl)phenyl]-N-methyl-but-3-yne-1-sulfonamide Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C(CC#C)C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CNS(=O)(=O)C(CC#C)C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H20N2O2S/c1-3-6-21(26(24,25)22-2)18-11-9-16(10-12-18)15-20-19-8-5-4-7-17(19)13-14-23-20/h1,4-5,7-14,21-22H,6,15H2,2H3