ethyl 2-[(4-fluorophenyl)sulfonylamino]-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride

Systemtic Name: ethyl 2-[(4-fluorophenyl)sulfonylamino]-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride Openeye Name: ethyl 2-[(4-fluorophenyl)sulfonylamino]-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate hydrochloride CAS Name: 2-[(4-fluorophenyl)sulfonylamino]-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(4-fluorophenyl)sulfonylamino]-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-[(4-fluorophenyl)sulfonylamino]-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester hydrochloride Formula: C16H23ClFN3O5S2 MolecularWeight: 455.952323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NS(=O)(=O)C2=CC=C(C=C2)F.Cl

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NS(=O)(=O)C2=CC=C(C=C2)F.Cl

InChI

InChI=1S/C16H22FN3O5S2.ClH/c1-3-25-15(21)14(16(26-19-22)8-10-20(2)11-9-16)18-27(23,24)13-6-4-12(17)5-7-13;/h4-7,14,18H,3,8-11H2,1-2H3;1H