4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoate

Systemtic Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoate Openeye Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoate CAS Name: 4-[[4-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoate IUPAC Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoate Traditional Name: 4-[[4-[(E)-3-(4-cyanophenyl)acryloyl]phenyl]sulfonylamino]butyrate Formula: C20H17N2O5S- MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)[O-])C#N

InChI

InChI=1S/C20H18N2O5S/c21-14-16-5-3-15(4-6-16)7-12-19(23)17-8-10-18(11-9-17)28(26,27)22-13-1-2-20(24)25/h3-12,22H,1-2,13H2,(H,24,25)/p-1/b12-7+