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

Systemtic Name: ethyl 4-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate Traditional Name: 4-[(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=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-3-29-22(26)17-8-10-19(11-9-17)23-21(25)18-5-4-14-24(15-18)30(27,28)20-12-6-16(2)7-13-20/h6-13,18H,3-5,14-15H2,1-2H3,(H,23,25)