1-[N'-(4-butoxyphenyl)sulfonylcarbamimidoyl]-2-decyl-guanidine hydrochloride

Systemtic Name: 1-[N'-(4-butoxyphenyl)sulfonylcarbamimidoyl]-2-decyl-guanidine hydrochloride Openeye Name: 1-[N'-(4-butoxyphenyl)sulfonylcarbamimidoyl]-2-decyl-guanidine hydrochloride CAS Name: 1-[amino-(4-butoxyphenyl)sulfonyliminomethyl]-2-decylguanidine hydrochloride IUPAC Name: 1-[N'-(4-butoxyphenyl)sulfonylcarbamimidoyl]-2-decylguanidine hydrochloride Traditional Name: 1-[N'-(4-butoxyphenyl)sulfonylamidino]-2-decyl-guanidine hydrochloride Formula: C22H40ClN5O3S MolecularWeight: 490.1027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN=C(N)NC(=NS(=O)(=O)C1=CC=C(C=C1)OCCCC)N.Cl

Isomeric SMILES

CCCCCCCCCCN=C(N)NC(=NS(=O)(=O)C1=CC=C(C=C1)OCCCC)N.Cl

InChI

InChI=1S/C22H39N5O3S.ClH/c1-3-5-7-8-9-10-11-12-17-25-21(23)26-22(24)27-31(28,29)20-15-13-19(14-16-20)30-18-6-4-2;/h13-16H,3-12,17-18H2,1-2H3,(H5,23,24,25,26,27);1H