[5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methoxypropoxy)pyridin-3-yl] hydrogen carbonate hydrochloride

Systemtic Name: [5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methoxypropoxy)pyridin-3-yl] hydrogen carbonate hydrochloride Openeye Name: [5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methoxypropoxy)-3-pyridyl] hydrogen carbonate hydrochloride CAS Name: carbonic acid [5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-(3-methoxypropoxy)-3-pyridinyl] ester hydrochloride IUPAC Name: [5-(4-ethylpiperazin-1-yl)sulfonyl-2-(3-methoxypropoxy)pyridin-3-yl] hydrogen carbonate hydrochloride Traditional Name: carbonic acid [5-(4-ethylpiperazino)sulfonyl-2-(3-methoxypropoxy)-3-pyridyl] ester hydrochloride Formula: C16H26ClN3O7S MolecularWeight: 439.91154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)OC(=O)O)OCCCOC.Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CN=C(C(=C2)OC(=O)O)OCCCOC.Cl

InChI

InChI=1S/C16H25N3O7S.ClH/c1-3-18-5-7-19(8-6-18)27(22,23)13-11-14(26-16(20)21)15(17-12-13)25-10-4-9-24-2;/h11-12H,3-10H2,1-2H3,(H,20,21);1H