propan-2-yl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]propionic acid isopropyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)OC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC(=O)OC(C)C)C

InChI

InChI=1S/C20H30N2O5S/c1-14(2)27-19(23)7-10-21-20(24)17-8-11-22(12-9-17)28(25,26)18-6-5-15(3)16(4)13-18/h5-6,13-14,17H,7-12H2,1-4H3,(H,21,24)