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

Systemtic Name: N-[2-[[(E)-4-phenylbut-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[2-[[(E)-1-methyl-3-phenyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[2-[[(E)-4-phenylbut-3-en-2-yl]amino]ethyl]-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[2-[[(E)-4-phenylbut-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[2-[[(E)-1-methyl-3-phenyl-allyl]amino]ethyl]isoquinoline-5-sulfonamide dihydrochloride Formula: C21H25Cl2N3O2S MolecularWeight: 454.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1=CC=CC=C1)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S.2ClH/c1-17(10-11-18-6-3-2-4-7-18)23-14-15-24-27(25,26)21-9-5-8-19-16-22-13-12-20(19)21;;/h2-13,16-17,23-24H,14-15H2,1H3;2*1H/b11-10+;;