[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylmethoxybenzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-benzyloxybenzoate CAS Name: 2-phenylmethoxybenzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-phenylmethoxybenzoate Traditional Name: 2-benzoxybenzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C28H30N2O6S MolecularWeight: 522.6126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C28H30N2O6S/c1-21-14-15-23(18-26(21)37(33,34)30-16-8-3-9-17-30)29-27(31)20-36-28(32)24-12-6-7-13-25(24)35-19-22-10-4-2-5-11-22/h2,4-7,10-15,18H,3,8-9,16-17,19-20H2,1H3,(H,29,31)