N2'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxidanylidene-pentyl]ethanediimidamide hydrate trihydrochloride

Systemtic Name: N2'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxidanylidene-pentyl]ethanediimidamide hydrate trihydrochloride Openeye Name: N2'-[4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-(4-methyl-1-piperidyl)-5-oxo-pentyl]oxalamidine hydrate trihydrochloride CAS Name: N2'-[4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-5-(4-methyl-1-piperidinyl)-5-oxopentyl]ethanediimidamide hydrate trihydrochloride IUPAC Name: 2-N'-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]ethanediimidamide hydrate trihydrochloride Traditional Name: N2'-[5-keto-5-(4-methylpiperidino)-4-(naphthionylamino)pentyl]oxalamidine hydrate trihydrochloride Formula: C25H42Cl3N7O4S MolecularWeight: 643.06948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CCCN=C(C(=N)N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.O.Cl.Cl.Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CCCN=C(C(=N)N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C.O.Cl.Cl.Cl

InChI

InChI=1S/C25H37N7O3S.3ClH.H2O/c1-17-12-15-32(16-13-17)25(33)20(9-6-14-29-24(28)23(26)27)30-36(34,35)22-11-5-7-18-19(22)8-4-10-21(18)31(2)3;;;;/h4-5,7-8,10-11,17,20,30H,6,9,12-16H2,1-3H3,(H3,26,27)(H2,28,29);3*1H;1H2