propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: isopropyl (3S)-3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: (3S)-3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (3S)-3-[(1-besylisonipecotoyl)amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O6S/c1-18(2)33-24(28)17-23(19-9-11-21(32-3)12-10-19)26-25(29)20-13-15-27(16-14-20)34(30,31)22-7-5-4-6-8-22/h4-12,18,20,23H,13-17H2,1-3H3,(H,26,29)/t23-/m0/s1