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

Systemtic Name: 7-[prop-2-enyl-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[allyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[[4-[[1-[imino(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]sulfonyl-prop-2-enylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[prop-2-enyl-[4-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[allyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C29H34N6O3S2 MolecularWeight: 578.74866

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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(=N)C5=CC=CS5

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(=N)C5=CC=CS5

InChI

InChI=1S/C29H34N6O3S2/c1-2-14-35(23-6-5-21-11-15-34(29(31)32)20-22(21)19-23)40(36,37)26-9-7-24(8-10-26)38-25-12-16-33(17-13-25)28(30)27-4-3-18-39-27/h2-10,18-19,25,30H,1,11-17,20H2,(H3,31,32)