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

Systemtic Name: 7-[ethyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Openeye Name: 7-[ethyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine CAS Name: 7-[ethyl-[4-[[1-(1-iminopropyl)-4-piperidinyl]oxy]phenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide IUPAC Name: 7-[ethyl-[4-(1-propanimidoylpiperidin-4-yl)oxyphenyl]sulfonylamino]-3,4-dihydro-1H-isoquinoline-2-carboximidamide Traditional Name: 7-[ethyl-[4-[(1-propanimidoyl-4-piperidyl)oxy]phenyl]sulfonyl-amino]-3,4-dihydro-1H-isoquinoline-2-carboxamidine Formula: C26H36N6O3S MolecularWeight: 512.66744

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H36N6O3S/c1-3-25(27)30-15-12-23(13-16-30)35-22-7-9-24(10-8-22)36(33,34)32(4-2)21-6-5-19-11-14-31(26(28)29)18-20(19)17-21/h5-10,17,23,27H,3-4,11-16,18H2,1-2H3,(H3,28,29)