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

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methyl-amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]ethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-methyl-amino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-25(14-4-5-18-8-10-20(23)11-9-18)15-16-26(2)29(27,28)22-7-3-6-19-17-24-13-12-21(19)22/h3-13,17H,14-16H2,1-2H3/b5-4+