2-[4-(dibenzo-p-dioxin-2-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine

Systemtic Name: 2-[4-(dibenzo-p-dioxin-2-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxidanylidene-pentyl]guanidine Openeye Name: 2-[4-(dibenzo-p-dioxin-2-ylsulfonylamino)-5-(4-ethyl-1-piperidyl)-5-oxo-pentyl]guanidine CAS Name: 2-[4-(2-dibenzo-p-dioxinylsulfonylamino)-5-(4-ethyl-1-piperidinyl)-5-oxopentyl]guanidine IUPAC Name: 2-[4-(dibenzo-p-dioxin-2-ylsulfonylamino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]guanidine Traditional Name: 2-[4-(dibenzo-p-dioxin-2-ylsulfonylamino)-5-(4-ethylpiperidino)-5-keto-pentyl]guanidine Formula: C25H33N5O5S MolecularWeight: 515.62502

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4O3

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4O3

InChI

InChI=1S/C25H33N5O5S/c1-2-17-11-14-30(15-12-17)24(31)19(6-5-13-28-25(26)27)29-36(32,33)18-9-10-22-23(16-18)35-21-8-4-3-7-20(21)34-22/h3-4,7-10,16-17,19,29H,2,5-6,11-15H2,1H3,(H4,26,27,28)