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

Systemtic Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-[(4-methyl-4-nitrososulfanyl-piperidin-1-yl)methyl]pentanoic acid Openeye Name: (2S)-2-(6-methoxy-2-naphthyl)-2-[(4-methyl-4-nitrososulfanyl-1-piperidyl)methyl]pentanoic acid CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)-2-[[4-methyl-4-(nitrosothio)-1-piperidinyl]methyl]pentanoic acid IUPAC Name: (2S)-2-(6-methoxynaphthalen-2-yl)-2-[(4-methyl-4-nitrososulfanylpiperidin-1-yl)methyl]pentanoic acid Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)-2-[[4-methyl-4-(nitrosothio)piperidino]methyl]valeric acid Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1CCC(CC1)(C)SN=O)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCC[C@@](CN1CCC(CC1)(C)SN=O)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C23H30N2O4S/c1-4-9-23(21(26)27,16-25-12-10-22(2,11-13-25)30-24-28)19-7-5-18-15-20(29-3)8-6-17(18)14-19/h5-8,14-15H,4,9-13,16H2,1-3H3,(H,26,27)/t23-/m1/s1