N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-ethanamide

Systemtic Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[1-(C-thiophen-2-ylcarbonimidoyl)piperidin-4-yl]oxyphenyl]sulfonyl-ethanamide Openeye Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-acetamide CAS Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-[imino(thiophen-2-yl)methyl]-4-piperidinyl]oxy]phenyl]sulfonylacetamide IUPAC Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]oxyphenyl]sulfonylacetamide Traditional Name: N-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(thiophene-2-carboximidoyl)-4-piperidyl]oxy]phenyl]sulfonyl-acetamide Formula: C28H32N6O4S2 MolecularWeight: 580.72148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(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

CC(=O)N(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/C28H32N6O4S2/c1-19(35)34(22-5-4-20-10-13-33(28(30)31)18-21(20)17-22)40(36,37)25-8-6-23(7-9-25)38-24-11-14-32(15-12-24)27(29)26-3-2-16-39-26/h2-9,16-17,24,29H,10-15,18H2,1H3,(H3,30,31)