N-[3-[[(E)-4-phenylbut-3-en-2-yl]amino]propyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-[[(E)-4-phenylbut-3-en-2-yl]amino]propyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[[(E)-1-methyl-3-phenyl-allyl]amino]propyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[[(E)-4-phenylbut-3-en-2-yl]amino]propyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[[(E)-4-phenylbut-3-en-2-yl]amino]propyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[[(E)-1-methyl-3-phenyl-allyl]amino]propyl]isoquinoline-5-sulfonamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1)NCCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-18(11-12-19-7-3-2-4-8-19)24-14-6-15-25-28(26,27)22-10-5-9-20-17-23-16-13-21(20)22/h2-5,7-13,16-18,24-25H,6,14-15H2,1H3/b12-11+