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

Systemtic Name: butyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylsulfonylphenyl)amino]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(N-methylsulfonyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-[[2-[N-methylsulfonyl-4-(4-morpholinylsulfonyl)anilino]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(N-mesyl-4-morpholinosulfonyl-anilino)acetyl]amino]benzoic acid butyl ester Formula: C24H31N3O8S2 MolecularWeight: 553.64824

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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)S(=O)(=O)N3CCOCC3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O8S2/c1-3-4-15-35-24(29)19-5-7-20(8-6-19)25-23(28)18-27(36(2,30)31)21-9-11-22(12-10-21)37(32,33)26-13-16-34-17-14-26/h5-12H,3-4,13-18H2,1-2H3,(H,25,28)