4-[[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[4-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[4-[(E)-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[4-[(E)-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[4-[(E)-3-(4-ethyl-3-nitro-phenyl)acryloyl]phenyl]sulfonylamino]butyric acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7S/c1-2-16-7-5-15(14-19(16)23(27)28)6-12-20(24)17-8-10-18(11-9-17)31(29,30)22-13-3-4-21(25)26/h5-12,14,22H,2-4,13H2,1H3,(H,25,26)/b12-6+