methyl 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CNC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O5S/c1-16-6-11-19(31(28,29)25-12-4-3-5-13-25)14-20(16)24-21(26)15-23-18-9-7-17(8-10-18)22(27)30-2/h6-11,14,23H,3-5,12-13,15H2,1-2H3,(H,24,26)