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

Systemtic Name: 7-[ethyl-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[ethyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[ethyl-[4-[[1-[imino(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[ethyl-[4-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[ethyl-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C28H34N6O3S2 MolecularWeight: 566.73796

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Descriptors Computed from Structure

Canonical SMILES:

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

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/C28H34N6O3S2/c1-2-34(22-6-5-20-11-14-33(28(30)31)19-21(20)18-22)39(35,36)25-9-7-23(8-10-25)37-24-12-15-32(16-13-24)27(29)26-4-3-17-38-26/h3-10,17-18,24,29H,2,11-16,19H2,1H3,(H3,30,31)