butyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-methylsulfonyl-4-[4-morpholinyl(oxo)methyl]anilino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[N-mesyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoic acid butyl ester Formula: C25H31N3O7S MolecularWeight: 517.59454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(=O)N3CCOCC3)S(=O)(=O)C

InChI

InChI=1S/C25H31N3O7S/c1-3-4-15-35-25(31)20-5-9-21(10-6-20)26-23(29)18-28(36(2,32)33)22-11-7-19(8-12-22)24(30)27-13-16-34-17-14-27/h5-12H,3-4,13-18H2,1-2H3,(H,26,29)