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

Systemtic Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-(2-hydroxyethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-(2-hydroxyethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[2-hydroxyethyl-[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-(2-hydroxyethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-(2-hydroxyethyl)amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C25H34N6O4S MolecularWeight: 514.64026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O4S/c1-18(26)29-12-9-23(10-13-29)35-22-4-6-24(7-5-22)36(33,34)31(14-15-32)21-3-2-19-8-11-30(25(27)28)17-20(19)16-21/h2-7,16,23,26,32H,8-15,17H2,1H3,(H3,27,28)