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

Systemtic Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]but-3-yne-1-sulfonamide Openeye Name: 1-[4-(1-isoquinolylmethyl)phenyl]but-3-yne-1-sulfonamide CAS Name: 1-[4-(1-isoquinolinylmethyl)phenyl]-3-butyne-1-sulfonamide IUPAC Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]but-3-yne-1-sulfonamide Traditional Name: 1-[4-(1-isoquinolylmethyl)phenyl]but-3-yne-1-sulfonamide Formula: C20H18N2O2S MolecularWeight: 350.43412

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)S(=O)(=O)N

Isomeric SMILES

C#CCC(C1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32)S(=O)(=O)N

InChI

InChI=1S/C20H18N2O2S/c1-2-5-20(25(21,23)24)17-10-8-15(9-11-17)14-19-18-7-4-3-6-16(18)12-13-22-19/h1,3-4,6-13,20H,5,14H2,(H2,21,23,24)