1-[3-acetamido-2-[(E)-N-acetamido-C-(4-nitrophenyl)carbonimidoyl]-4-methoxy-phenyl]propan-2-yl methanesulfonate

Systemtic Name: 1-[3-acetamido-2-[(E)-N-acetamido-C-(4-nitrophenyl)carbonimidoyl]-4-methoxy-phenyl]propan-2-yl methanesulfonate Openeye Name: [2-[3-acetamido-2-[(E)-N-acetamido-C-(4-nitrophenyl)carbonimidoyl]-4-methoxy-phenyl]-1-methyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid 1-[3-acetamido-2-[(E)-(acetylhydrazinylidene)-(4-nitrophenyl)methyl]-4-methoxyphenyl]propan-2-yl ester IUPAC Name: 1-[3-acetamido-2-[(E)-N-acetamido-C-(4-nitrophenyl)carbonimidoyl]-4-methoxyphenyl]propan-2-yl methanesulfonate Traditional Name: methanesulfonic acid [2-[3-acetamido-2-[(E)-N-acetamido-C-(4-nitrophenyl)carbonimidoyl]-4-methoxy-phenyl]-1-methyl-ethyl] ester Formula: C22H26N4O8S MolecularWeight: 506.52884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C(C=C1)OC)NC(=O)C)C(=NNC(=O)C)C2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(CC1=C(C(=C(C=C1)OC)NC(=O)C)/C(=N/NC(=O)C)/C2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C22H26N4O8S/c1-13(34-35(5,31)32)12-17-8-11-19(33-4)22(23-14(2)27)20(17)21(25-24-15(3)28)16-6-9-18(10-7-16)26(29)30/h6-11,13H,12H2,1-5H3,(H,23,27)(H,24,28)/b25-21+