4-tert-butyl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide Openeye Name: 4-tert-butyl-N-(1-isoquinolylmethyl)benzenesulfonamide CAS Name: 4-tert-butyl-N-(1-isoquinolinylmethyl)benzenesulfonamide IUPAC Name: 4-tert-butyl-N-(isoquinolin-1-ylmethyl)benzenesulfonamide Traditional Name: 4-tert-butyl-N-(1-isoquinolylmethyl)benzenesulfonamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/c1-20(2,3)16-8-10-17(11-9-16)25(23,24)22-14-19-18-7-5-4-6-15(18)12-13-21-19/h4-13,22H,14H2,1-3H3