methyl 3-phenyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-phenyl-2-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[(1-besylisonipecotoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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