methyl 4-[[3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)prop-2-enoylamino]methyl]benzoate Openeye Name: methyl 4-[[3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]prop-2-enoylamino]methyl]benzoate CAS Name: 4-[[[3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-oxoprop-2-enyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoylamino]methyl]benzoate Traditional Name: 4-[[[3-(4-methoxy-3-piperidinosulfonyl-phenyl)acryloyl]amino]methyl]benzoic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H28N2O6S/c1-31-21-12-8-18(16-22(21)33(29,30)26-14-4-3-5-15-26)9-13-23(27)25-17-19-6-10-20(11-7-19)24(28)32-2/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,25,27)