propan-2-yl 3-(4-methylphenyl)-3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]propanoate

Systemtic Name: propan-2-yl 3-(4-methylphenyl)-3-[[5-(phenylsulfonylmethyl)furan-2-yl]carbonylamino]propanoate Openeye Name: isopropyl 3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[5-(benzenesulfonylmethyl)-2-furanyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(benzenesulfonylmethyl)furan-2-carbonyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[5-(besylmethyl)-2-furoyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-17(2)31-24(27)15-22(19-11-9-18(3)10-12-19)26-25(28)23-14-13-20(32-23)16-33(29,30)21-7-5-4-6-8-21/h4-14,17,22H,15-16H2,1-3H3,(H,26,28)