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

Systemtic Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxyphenyl]sulfonyl-ethanamide Openeye Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]phenyl]sulfonyl-acetamide CAS Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(cyclopropyliminomethyl)-4-piperidinyl]oxy]phenyl]sulfonylacetamide IUPAC Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[1-(cyclopropyliminomethyl)piperidin-4-yl]oxyphenyl]sulfonylacetamide Traditional Name: N-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(cyclopropyliminomethyl)-4-piperidyl]oxy]phenyl]sulfonyl-acetamide Formula: C27H34N6O4S MolecularWeight: 538.66166

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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=NC5CC5

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=NC5CC5

InChI

InChI=1S/C27H34N6O4S/c1-19(34)33(23-5-2-20-10-15-32(27(28)29)17-21(20)16-23)38(35,36)26-8-6-24(7-9-26)37-25-11-13-31(14-12-25)18-30-22-3-4-22/h2,5-9,16,18,22,25H,3-4,10-15,17H2,1H3,(H3,28,29)