ethyl 2-formamido-2-[4-nitrososulfanyl-1-(phenylmethyl)piperidin-4-yl]ethanoate hydrochloride

Systemtic Name: ethyl 2-formamido-2-[4-nitrososulfanyl-1-(phenylmethyl)piperidin-4-yl]ethanoate hydrochloride Openeye Name: ethyl 2-(1-benzyl-4-nitrososulfanyl-4-piperidyl)-2-formamido-acetate hydrochloride CAS Name: 2-formamido-2-[4-(nitrosothio)-1-(phenylmethyl)-4-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(1-benzyl-4-nitrososulfanylpiperidin-4-yl)-2-formamidoacetate hydrochloride Traditional Name: 2-[1-benzyl-4-(nitrosothio)-4-piperidyl]-2-formamido-acetic acid ethyl ester hydrochloride Formula: C17H24ClN3O4S MolecularWeight: 401.90816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1(CCN(CC1)CC2=CC=CC=C2)SN=O)NC=O.Cl

Isomeric SMILES

CCOC(=O)C(C1(CCN(CC1)CC2=CC=CC=C2)SN=O)NC=O.Cl

InChI

InChI=1S/C17H23N3O4S.ClH/c1-2-24-16(22)15(18-13-21)17(25-19-23)8-10-20(11-9-17)12-14-6-4-3-5-7-14;/h3-7,13,15H,2,8-12H2,1H3,(H,18,21);1H