N-[1-[4-(4-cyanophenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride

Systemtic Name: N-[1-[4-(4-cyanophenoxy)butyl]piperidin-4-yl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Openeye Name: N-[1-[4-(4-cyanophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride CAS Name: N-[1-[4-(4-cyanophenoxy)butyl]-4-piperidinyl]-N-methyl-5-isoquinolinesulfonamide dihydrochloride IUPAC Name: N-[1-[4-(4-cyanophenoxy)butyl]piperidin-4-yl]-N-methylisoquinoline-5-sulfonamide dihydrochloride Traditional Name: N-[1-[4-(4-cyanophenoxy)butyl]-4-piperidyl]-N-methyl-isoquinoline-5-sulfonamide dihydrochloride Formula: C26H32Cl2N4O3S MolecularWeight: 551.52828

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

Isomeric SMILES

CN(C1CCN(CC1)CCCCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

InChI

InChI=1S/C26H30N4O3S.2ClH/c1-29(34(31,32)26-6-4-5-22-20-28-14-11-25(22)26)23-12-16-30(17-13-23)15-2-3-18-33-24-9-7-21(19-27)8-10-24;;/h4-11,14,20,23H,2-3,12-13,15-18H2,1H3;2*1H