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

Systemtic Name: ethyl 2-[(2-chlorophenyl)carbonylamino]-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride Openeye Name: ethyl 2-[(2-chlorobenzoyl)amino]-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate hydrochloride CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[(2-chlorobenzoyl)amino]-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-[(2-chlorobenzoyl)amino]-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester hydrochloride Formula: C17H23Cl2N3O4S MolecularWeight: 436.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClN3O4S.ClH/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);1H