methyl 3-[[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 3-[[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 3-[[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 3-[[2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 3-[[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]amino]benzoic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O6S/c1-30-20-10-9-18(32(28,29)25-11-4-3-5-12-25)14-19(20)24-21(26)15-23-17-8-6-7-16(13-17)22(27)31-2/h6-10,13-14,23H,3-5,11-12,15H2,1-2H3,(H,24,26)