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

Systemtic Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-tosylisonipecotoyl)amino]benzoic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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