methyl 2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propanoate Openeye Name: methyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(1-besylpyrrol-3-yl)propionic acid methyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O6S/c1-29-21(25)20(23-22(26)30-16-17-8-4-2-5-9-17)14-18-12-13-24(15-18)31(27,28)19-10-6-3-7-11-19/h2-13,15,20H,14,16H2,1H3,(H,23,26)