7-[[4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxyphenyl]sulfonyl-prop-2-enyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide

Systemtic Name: 7-[[4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxyphenyl]sulfonyl-prop-2-enyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[allyl-[4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[[1-(cyclopropyliminomethyl)-4-piperidinyl]oxy]phenyl]sulfonyl-prop-2-enylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxyphenyl]sulfonyl-prop-2-enylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[allyl-[4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C28H36N6O3S MolecularWeight: 536.68884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C=NC5CC5

Isomeric SMILES

C=CCN(C1=CC2=C(CCN(C2)C(=N)N)C=C1)S(=O)(=O)C3=CC=C(C=C3)OC4CCN(CC4)C=NC5CC5

InChI

InChI=1S/C28H36N6O3S/c1-2-14-34(24-6-3-21-11-17-33(28(29)30)19-22(21)18-24)38(35,36)27-9-7-25(8-10-27)37-26-12-15-32(16-13-26)20-31-23-4-5-23/h2-3,6-10,18,20,23,26H,1,4-5,11-17,19H2,(H3,29,30)