N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-methyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=C(C=C1)OCO2)CNCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C/C(=C/C1=CC2=C(C=C1)OCO2)/CNCCNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23N3O4S/c1-16(11-17-5-6-20-21(12-17)29-15-28-20)13-24-9-10-25-30(26,27)22-4-2-3-18-14-23-8-7-19(18)22/h2-8,11-12,14,24-25H,9-10,13,15H2,1H3/b16-11-