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

Systemtic Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethanamide Openeye Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-acetamide CAS Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfonylacetamide IUPAC Name: N-(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonylacetamide Traditional Name: N-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-N-(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C25H32N6O4S MolecularWeight: 512.62438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C25H32N6O4S/c1-17(26)29-13-10-23(11-14-29)35-22-5-7-24(8-6-22)36(33,34)31(18(2)32)21-4-3-19-9-12-30(25(27)28)16-20(19)15-21/h3-8,15,23,26H,9-14,16H2,1-2H3,(H3,27,28)