3-[[4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(E)-3-(4-isopropyl-3-nitro-phenyl)acryloyl]phenyl]sulfonylamino]propionic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c1-14(2)18-9-3-15(13-19(18)23(27)28)4-10-20(24)16-5-7-17(8-6-16)31(29,30)22-12-11-21(25)26/h3-10,13-14,22H,11-12H2,1-2H3,(H,25,26)/b10-4+