ethyl 2-[(2-chlorophenyl)carbonylamino]-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate

Systemtic Name: ethyl 2-[(2-chlorophenyl)carbonylamino]-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate Openeye Name: ethyl 2-[(2-chlorobenzoyl)amino]-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorobenzoyl)amino]-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate Traditional Name: 2-[(2-chlorobenzoyl)amino]-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester Formula: C17H22ClN3O4S MolecularWeight: 399.89228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)C)SN=O)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H22ClN3O4S/c1-3-25-16(23)14(17(26-20-24)8-10-21(2)11-9-17)19-15(22)12-6-4-5-7-13(12)18/h4-7,14H,3,8-11H2,1-2H3,(H,19,22)