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

Systemtic Name: N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-methoxyphenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-methoxyphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(4-methoxyphenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C21H23N3O3S/c1-27-19-9-7-17(8-10-19)4-3-12-22-14-15-24-28(25,26)21-6-2-5-18-16-23-13-11-20(18)21/h2-11,13,16,22,24H,12,14-15H2,1H3/b4-3+