nonyl 4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzenesulfonate

Systemtic Name: nonyl 4-[(3-oxidanylidene-3-phenyl-propanoyl)amino]benzenesulfonate Openeye Name: nonyl 4-[(3-oxo-3-phenyl-propanoyl)amino]benzenesulfonate CAS Name: 4-[(1,3-dioxo-3-phenylpropyl)amino]benzenesulfonic acid nonyl ester IUPAC Name: nonyl 4-[(3-oxo-3-phenylpropanoyl)amino]benzenesulfonate Traditional Name: 4-[(3-keto-3-phenyl-propanoyl)amino]benzenesulfonic acid nonyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC(=O)CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H31NO5S/c1-2-3-4-5-6-7-11-18-30-31(28,29)22-16-14-21(15-17-22)25-24(27)19-23(26)20-12-9-8-10-13-20/h8-10,12-17H,2-7,11,18-19H2,1H3,(H,25,27)