ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride

Systemtic Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethanoate hydrochloride Openeye Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)acetate hydrochloride CAS Name: 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]-2-(1-oxoheptylamino)acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(heptanoylamino)-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)acetate hydrochloride Traditional Name: 2-(enanthylamino)-2-[1-methyl-4-(nitrosothio)-4-piperidyl]acetic acid ethyl ester hydrochloride Formula: C17H32ClN3O4S MolecularWeight: 409.97168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC(C(=O)OCC)C1(CCN(CC1)C)SN=O.Cl

Isomeric SMILES

CCCCCCC(=O)NC(C(=O)OCC)C1(CCN(CC1)C)SN=O.Cl

InChI

InChI=1S/C17H31N3O4S.ClH/c1-4-6-7-8-9-14(21)18-15(16(22)24-5-2)17(25-19-23)10-12-20(3)13-11-17;/h15H,4-13H2,1-3H3,(H,18,21);1H