[2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(6-methoxynaphthalen-2-yl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(6-methoxy-2-naphthyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-(6-methoxy-2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: [2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-(6-methoxy-2-naphthyl)ethyl] ester Formula: C27H29NO6S MolecularWeight: 495.58726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C27H29NO6S/c1-33-24-11-10-21-17-23(9-8-22(21)18-24)26(29)19-34-27(30)14-7-20-5-12-25(13-6-20)35(31,32)28-15-3-2-4-16-28/h5-6,8-13,17-18H,2-4,7,14-16,19H2,1H3