(2S)-2-(6-methoxynaphthalen-2-yl)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)pentanoic acid

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)pentanoic acid Openeye Name: (2S)-2-(6-methoxy-2-naphthyl)-2-(1-methyl-4-nitrososulfanyl-4-piperidyl)pentanoic acid CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)-2-[1-methyl-4-(nitrosothio)-4-piperidinyl]pentanoic acid IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)pentanoic acid Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)-2-[1-methyl-4-(nitrosothio)-4-piperidyl]valeric acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(CCN(CC3)C)SN=O

Isomeric SMILES

CCC[C@](C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)C3(CCN(CC3)C)SN=O

InChI

InChI=1S/C22H28N2O4S/c1-4-9-22(20(25)26,21(29-23-27)10-12-24(2)13-11-21)18-7-5-17-15-19(28-3)8-6-16(17)14-18/h5-8,14-15H,4,9-13H2,1-3H3,(H,25,26)/t22-/m0/s1