N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]isoquinoline-5-sulfonamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)CC=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)C/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-25(14-3-4-17-7-9-19(22)10-8-17)15-13-24-28(26,27)21-6-2-5-18-16-23-12-11-20(18)21/h2-12,16,24H,13-15H2,1H3/b4-3+