ethyl 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]ethanoate Openeye Name: ethyl 2-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]acetic acid ethyl ester Formula: C27H26N2O7S MolecularWeight: 522.56954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)/C(=C\C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O7S/c1-3-35-25(30)18-28-27(32)24(29-26(31)21-7-5-4-6-8-21)17-20-11-13-22(14-12-20)36-37(33,34)23-15-9-19(2)10-16-23/h4-17H,3,18H2,1-2H3,(H,28,32)(H,29,31)/b24-17+