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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCOC(=O)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C(=O)NCCOC(=O)C)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O7S/c1-19-8-14-24(15-9-19)37(33,34)36-23-12-10-21(11-13-23)18-25(27(32)28-16-17-35-20(2)30)29-26(31)22-6-4-3-5-7-22/h3-15,18H,16-17H2,1-2H3,(H,28,32)(H,29,31)/b25-18+