2-(isoquinolin-5-ylsulfonylamino)ethyl-[(E)-3-phenylprop-2-enyl]azanium

Systemtic Name: 2-(isoquinolin-5-ylsulfonylamino)ethyl-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-[2-(5-isoquinolylsulfonylamino)ethyl]ammonium CAS Name: 2-(5-isoquinolinylsulfonylamino)ethyl-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: 2-(isoquinolin-5-ylsulfonylamino)ethyl-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-[2-(5-isoquinolylsulfonylamino)ethyl]ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC[NH2+]CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C[NH2+]CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/p+1/b8-5+