methyl 3-phenyl-3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-3-[[1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: 3-[[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: 3-[(1-besylnipecotoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O5S/c1-29-21(25)15-20(17-9-4-2-5-10-17)23-22(26)18-11-8-14-24(16-18)30(27,28)19-12-6-3-7-13-19/h2-7,9-10,12-13,18,20H,8,11,14-16H2,1H3,(H,23,26)