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

Systemtic Name: ethyl 2-acetamido-2-[4-nitrososulfanyl-1-(phenylmethyl)piperidin-4-yl]ethanoate hydrochloride Openeye Name: ethyl 2-acetamido-2-(1-benzyl-4-nitrososulfanyl-4-piperidyl)acetate hydrochloride CAS Name: 2-acetamido-2-[4-(nitrosothio)-1-(phenylmethyl)-4-piperidinyl]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-acetamido-2-(1-benzyl-4-nitrososulfanylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-acetamido-2-[1-benzyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester hydrochloride Formula: C18H26ClN3O4S MolecularWeight: 415.93474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4S.ClH/c1-3-25-17(23)16(19-14(2)22)18(26-20-24)9-11-21(12-10-18)13-15-7-5-4-6-8-15;/h4-8,16H,3,9-13H2,1-2H3,(H,19,22);1H