ethyl 3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(phenylmethyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[1-(phenylmethyl)sulfonyl-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-benzylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 3-[(1-benzylsulfonylisonipecotoyl)amino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-2-29-22(26)19-9-6-10-20(15-19)23-21(25)18-11-13-24(14-12-18)30(27,28)16-17-7-4-3-5-8-17/h3-10,15,18H,2,11-14,16H2,1H3,(H,23,25)