methyl 4-[[1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate

Systemtic Name: methyl 4-[[1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]amino]benzoate Openeye Name: methyl 4-[[1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]amino]benzoate CAS Name: 4-[[1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]amino]benzoate Traditional Name: 4-[[2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]amino]benzoic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)NC3=CC=C(C=C3)C(=O)OC

InChI

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