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

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxybenzoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H26N2O6S/c1-16-6-9-18(14-20(16)31(27,28)24-12-4-3-5-13-24)23-21(25)15-30-22(26)17-7-10-19(29-2)11-8-17/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)