ethyl 2-[4-[3-[2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-4-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazin-1-yl]ethanoate dihydrochloride

Systemtic Name: ethyl 2-[4-[3-[2-[3-[bis(azanyl)methylideneamino]oxypropoxy]-4-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazin-1-yl]ethanoate dihydrochloride Openeye Name: ethyl 2-[4-[3-[2-(3-guanidinooxypropoxy)-4-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazin-1-yl]acetate dihydrochloride CAS Name: 2-[4-[3-[2-[3-(diaminomethylideneamino)oxypropoxy]-4-methylphenoxy]sulfonylphenyl]sulfonyl-1-piperazinyl]acetic acid ethyl ester dihydrochloride IUPAC Name: ethyl 2-[4-[3-[2-[3-(diaminomethylideneamino)oxypropoxy]-4-methylphenoxy]sulfonylphenyl]sulfonylpiperazin-1-yl]acetate dihydrochloride Traditional Name: 2-[4-[3-[2-(3-guanidinooxypropoxy)-4-methyl-phenoxy]sulfonylphenyl]sulfonylpiperazino]acetic acid ethyl ester dihydrochloride Formula: C25H37Cl2N5O9S2 MolecularWeight: 686.62538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=C(C=C(C=C3)C)OCCCON=C(N)N.Cl.Cl

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)OC3=C(C=C(C=C3)C)OCCCON=C(N)N.Cl.Cl

InChI

InChI=1S/C25H35N5O9S2.2ClH/c1-3-36-24(31)18-29-10-12-30(13-11-29)40(32,33)20-6-4-7-21(17-20)41(34,35)39-22-9-8-19(2)16-23(22)37-14-5-15-38-28-25(26)27;;/h4,6-9,16-17H,3,5,10-15,18H2,1-2H3,(H4,26,27,28);2*1H