2-(4-nitrososulfanylpiperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate hydrochloride

Systemtic Name: 2-(4-nitrososulfanylpiperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate hydrochloride Openeye Name: 2-(4-nitrososulfanyl-4-piperidyl)ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate hydrochloride CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[4-(nitrosothio)-4-piperidinyl]ethyl ester hydrochloride IUPAC Name: 2-(4-nitrososulfanylpiperidin-4-yl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate hydrochloride Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-[4-(nitrosothio)-4-piperidyl]ethyl ester hydrochloride Formula: C21H27ClN2O4S MolecularWeight: 438.96808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCC3(CCNCC3)SN=O.Cl

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCC3(CCNCC3)SN=O.Cl

InChI

InChI=1S/C21H26N2O4S.ClH/c1-15(16-3-4-18-14-19(26-2)6-5-17(18)13-16)20(24)27-12-9-21(28-23-25)7-10-22-11-8-21;/h3-6,13-15,22H,7-12H2,1-2H3;1H/t15-;/m0./s1