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

Systemtic Name: [2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)OC)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=C(C=CC(=C3)OC)O

InChI

InChI=1S/C22H26N2O7S/c1-15-6-8-17(32(28,29)24-10-4-3-5-11-24)13-19(15)23-21(26)14-31-22(27)18-12-16(30-2)7-9-20(18)25/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3,(H,23,26)