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

Systemtic Name: 4-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]butanoate Openeye Name: 4-[[(E)-2-benzamido-3-[4-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]butanoate CAS Name: 4-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]butanoate IUPAC Name: 4-[[(E)-2-benzamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]butanoate Traditional Name: 4-[[(E)-2-benzamido-3-(4-tosyloxyphenyl)acryloyl]amino]butyrate Formula: C27H25N2O7S- MolecularWeight: 521.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)NCCCC(=O)[O-])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)NCCCC(=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O7S/c1-19-9-15-23(16-10-19)37(34,35)36-22-13-11-20(12-14-22)18-24(27(33)28-17-5-8-25(30)31)29-26(32)21-6-3-2-4-7-21/h2-4,6-7,9-16,18H,5,8,17H2,1H3,(H,28,33)(H,29,32)(H,30,31)/p-1/b24-18+