N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[[(E)-cinnamyl]amino]propyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[[(E)-3-phenylprop-2-enyl]amino]propyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[[(E)-cinnamyl]amino]propyl]isoquinoline-5-sulfonamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCNCCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CNCCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O2S/c25-27(26,21-11-4-10-19-17-23-16-12-20(19)21)24-15-6-14-22-13-5-9-18-7-2-1-3-8-18/h1-5,7-12,16-17,22,24H,6,13-15H2/b9-5+