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

Systemtic Name: ethyl 4-[[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H29N3O5S/c1-3-31-23(28)18-8-10-19(11-9-18)24-16-22(27)25-21-15-20(12-7-17(21)2)32(29,30)26-13-5-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27)