1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitro-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-[4-[(2-methoxyphenyl)thio]-2-methyl-5-nitrophenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-5-nitrophenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-[4-[(2-methoxyphenyl)thio]-2-methyl-5-nitro-phenyl]acryloyl]isonipecotic acid Formula: C23H24N2O6S MolecularWeight: 456.51146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=CC(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-])SC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1/C=C/C(=O)N2CCC(CC2)C(=O)O)[N+](=O)[O-])SC3=CC=CC=C3OC

InChI

InChI=1S/C23H24N2O6S/c1-15-13-21(32-20-6-4-3-5-19(20)31-2)18(25(29)30)14-17(15)7-8-22(26)24-11-9-16(10-12-24)23(27)28/h3-8,13-14,16H,9-12H2,1-2H3,(H,27,28)/b8-7+