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

Systemtic Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethanamide Openeye Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-acetamide CAS Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonylacetamide IUPAC Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonylacetamide Traditional Name: N-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-acetamide Formula: C26H34N6O4S MolecularWeight: 526.65096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(C3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)C

Isomeric SMILES

CCC(=N)N1CCC(CC1)OC2=CC=C(C=C2)S(=O)(=O)N(C3=CC4=C(CCN(C4)C(=N)N)C=C3)C(=O)C

InChI

InChI=1S/C26H34N6O4S/c1-3-25(27)30-14-11-23(12-15-30)36-22-6-8-24(9-7-22)37(34,35)32(18(2)33)21-5-4-19-10-13-31(26(28)29)17-20(19)16-21/h4-9,16,23,27H,3,10-15,17H2,1-2H3,(H3,28,29)