[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C23H27BrN2O6S MolecularWeight: 539.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H27BrN2O6S/c1-23(2,3)17-5-7-18(8-6-17)25-21(27)15-32-22(28)16-4-9-19(24)20(14-16)33(29,30)26-10-12-31-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,25,27)