[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O6S/c1-28-19-11-10-17(30(26,27)23-12-6-3-7-13-23)14-18(19)22-20(24)15-29-21(25)16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,22,24)