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

Systemtic Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-[(4-hydroxyphenyl)methyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-[(4-hydroxyphenyl)methyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-[(4-hydroxyphenyl)methyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-chlorophenyl)prop-2-enyl]-[(4-hydroxyphenyl)methyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-chlorophenyl)allyl]-(4-hydroxybenzyl)amino]ethyl]isoquinoline-5-sulfonamide Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN(CC=CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN(C/C=C/C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)O

InChI

InChI=1S/C27H26ClN3O3S/c28-24-10-6-21(7-11-24)3-2-17-31(20-22-8-12-25(32)13-9-22)18-16-30-35(33,34)27-5-1-4-23-19-29-15-14-26(23)27/h1-15,19,30,32H,16-18,20H2/b3-2+