methyl 4,5-dimethoxy-2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(1-benzylsulfonylisonipecotoyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O7S/c1-30-20-13-18(23(27)32-3)19(14-21(20)31-2)24-22(26)17-9-11-25(12-10-17)33(28,29)15-16-7-5-4-6-8-16/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,24,26)