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

Systemtic Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-ethyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[ethyl-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-ethylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-ethyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C25H34N6O3S MolecularWeight: 498.64086

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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)C

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)C

InChI

InChI=1S/C25H34N6O3S/c1-3-31(21-5-4-19-10-13-30(25(27)28)17-20(19)16-21)35(32,33)24-8-6-22(7-9-24)34-23-11-14-29(15-12-23)18(2)26/h4-9,16,23,26H,3,10-15,17H2,1-2H3,(H3,27,28)