1-[4-(isoquinolin-1-ylmethyl)phenyl]butane-1-sulfonamide

Systemtic Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]butane-1-sulfonamide Openeye Name: 1-[4-(1-isoquinolylmethyl)phenyl]butane-1-sulfonamide CAS Name: 1-[4-(1-isoquinolinylmethyl)phenyl]-1-butanesulfonamide IUPAC Name: 1-[4-(isoquinolin-1-ylmethyl)phenyl]butane-1-sulfonamide Traditional Name: 1-[4-(1-isoquinolylmethyl)phenyl]butane-1-sulfonamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S/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/h3-4,6-13,20H,2,5,14H2,1H3,(H2,21,23,24)