methyl (E)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-2-(phenylmethoxycarbonylamino)-3-[1-(phenylsulfonyl)pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(benzyloxycarbonylamino)prop-2-enoate CAS Name: (E)-3-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(phenylmethoxycarbonylamino)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate Traditional Name: (E)-2-(benzyloxycarbonylamino)-3-(1-besylpyrrol-3-yl)acrylic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

Click to see the large picture

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(=C\C1=CN(C=C1)S(=O)(=O)C2=CC=CC=C2)/NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/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/h2-15H,16H2,1H3,(H,23,26)/b20-14+