ethyl 4-[[(E)-2-cyano-3-(4-naphthalen-2-ylsulfonyloxyphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-2-cyano-3-(4-naphthalen-2-ylsulfonyloxyphenyl)prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-2-cyano-3-[4-(2-naphthylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[4-(2-naphthalenylsulfonyloxy)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-2-cyano-3-(4-naphthalen-2-ylsulfonyloxyphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(2-naphthylsulfonyloxy)phenyl]acryloyl]amino]benzoic acid ethyl ester Formula: C29H22N2O6S MolecularWeight: 526.55978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)/C#N

InChI

InChI=1S/C29H22N2O6S/c1-2-36-29(33)22-9-12-25(13-10-22)31-28(32)24(19-30)17-20-7-14-26(15-8-20)37-38(34,35)27-16-11-21-5-3-4-6-23(21)18-27/h3-18H,2H2,1H3,(H,31,32)/b24-17+