[(2S)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-sulfamoyl-benzoate Openeye Name: [(1S)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 4-chloro-3-sulfamoyl-benzoate CAS Name: 4-chloro-3-sulfamoylbenzoic acid [(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate Traditional Name: 4-chloro-3-sulfamoyl-benzoic acid [(1S)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N

InChI

InChI=1S/C20H23ClN2O5S/c1-12(18(24)23-15-8-6-14(7-9-15)20(2,3)4)28-19(25)13-5-10-16(21)17(11-13)29(22,26)27/h5-12H,1-4H3,(H,23,24)(H2,22,26,27)/t12-/m0/s1