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

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-N-phenethyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]-N-phenethyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-N-phenethyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]ethyl]-N-phenethylisoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]amino]ethyl]-N-phenethyl-isoquinoline-5-sulfonamide Formula: C28H28ClN3O2S MolecularWeight: 506.05882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCNCC=CC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCNC/C=C/C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C28H28ClN3O2S/c29-26-13-11-24(12-14-26)8-5-17-30-19-21-32(20-16-23-6-2-1-3-7-23)35(33,34)28-10-4-9-25-22-31-18-15-27(25)28/h1-15,18,22,30H,16-17,19-21H2/b8-5+