2-[methyl-[(1-methyl-4-nitrososulfanyl-piperidin-4-yl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 2-[methyl-[(1-methyl-4-nitrososulfanyl-piperidin-4-yl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 2-[methyl-[(1-methyl-4-nitrososulfanyl-4-piperidyl)methyl]amino]ethyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 2-[methyl-[[1-methyl-4-(nitrosothio)-4-piperidinyl]methyl]amino]ethyl ester IUPAC Name: 2-[methyl-[(1-methyl-4-nitrososulfanylpiperidin-4-yl)methyl]amino]ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 2-[methyl-[[1-methyl-4-(nitrosothio)-4-piperidyl]methyl]amino]ethyl ester Formula: C24H33N3O4S MolecularWeight: 459.60152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN(C)CC3(CCN(CC3)C)SN=O

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCN(C)CC3(CCN(CC3)C)SN=O

InChI

InChI=1S/C24H33N3O4S/c1-18(19-5-6-21-16-22(30-4)8-7-20(21)15-19)23(28)31-14-13-27(3)17-24(32-25-29)9-11-26(2)12-10-24/h5-8,15-16,18H,9-14,17H2,1-4H3/t18-/m0/s1