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

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-ethyl-amino]ethyl]-N-ethyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-ethyl-amino]ethyl]-N-ethyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-ethylamino]ethyl]-N-ethyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-ethylamino]ethyl]-N-ethylisoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-ethyl-amino]ethyl]-N-ethyl-isoquinoline-5-sulfonamide Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O2S/c1-3-27(16-6-7-20-10-12-22(25)13-11-20)17-18-28(4-2)31(29,30)24-9-5-8-21-19-26-15-14-23(21)24/h5-15,19H,3-4,16-18H2,1-2H3/b7-6+