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

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(4-methyl-4-nitrososulfanyl-piperidin-1-yl)pentanoic acid Openeye Name: (2S)-2-(6-methoxy-2-naphthyl)-2-(4-methyl-4-nitrososulfanyl-1-piperidyl)pentanoic acid CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)-2-[4-methyl-4-(nitrosothio)-1-piperidinyl]pentanoic acid IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-(4-methyl-4-nitrososulfanylpiperidin-1-yl)pentanoic acid Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)-2-[4-methyl-4-(nitrosothio)piperidino]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)N3CCC(CC3)(C)SN=O

Isomeric SMILES

CCC[C@](C1=CC2=C(C=C1)C=C(C=C2)OC)(C(=O)O)N3CCC(CC3)(C)SN=O

InChI

InChI=1S/C22H28N2O4S/c1-4-9-22(20(25)26,24-12-10-21(2,11-13-24)29-23-27)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