methyl 4-[(E)-3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(4-methoxy-3-piperidinosulfonyl-anilino)prop-1-enyl]benzoic acid methyl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C=CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S/c1-30-20-12-11-19(16-21(20)32(28,29)25-14-4-3-5-15-25)24-22(26)13-8-17-6-9-18(10-7-17)23(27)31-2/h6-13,16H,3-5,14-15H2,1-2H3,(H,24,26)/b13-8+