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

Systemtic Name: N-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(4-isopropylphenyl)allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-p-cumenylallyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-18(2)20-10-8-19(9-11-20)5-4-13-24-15-16-26-29(27,28)23-7-3-6-21-17-25-14-12-22(21)23/h3-12,14,17-18,24,26H,13,15-16H2,1-2H3/b5-4+