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

Systemtic Name: 7-[2-hydroxyethyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[2-hydroxyethyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[2-hydroxyethyl-[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[2-hydroxyethyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[2-hydroxyethyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C26H36N6O4S MolecularWeight: 528.66684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C26H36N6O4S/c1-2-25(27)30-13-10-23(11-14-30)36-22-5-7-24(8-6-22)37(34,35)32(15-16-33)21-4-3-19-9-12-31(26(28)29)18-20(19)17-21/h3-8,17,23,27,33H,2,9-16,18H2,1H3,(H3,28,29)