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

Systemtic Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 3-[(1-tosylnipecotoyl)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)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-3-29-22(26)17-6-4-8-19(14-17)23-21(25)18-7-5-13-24(15-18)30(27,28)20-11-9-16(2)10-12-20/h4,6,8-12,14,18H,3,5,7,13,15H2,1-2H3,(H,23,25)