N-[2-[[(E)-4-(2-methoxyphenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(E)-4-(2-methoxyphenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(E)-3-(2-methoxyphenyl)-1-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(E)-4-(2-methoxyphenyl)but-3-en-2-yl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(E)-4-(2-methoxyphenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(E)-3-(2-methoxyphenyl)-1-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1OC)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(/C=C/C1=CC=CC=C1OC)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O3S/c1-17(10-11-18-6-3-4-8-21(18)28-2)24-14-15-25-29(26,27)22-9-5-7-19-16-23-13-12-20(19)22/h3-13,16-17,24-25H,14-15H2,1-2H3/b11-10+