tert-butyl 2-[3-methoxy-2-(phenylmethoxycarbonylamino)-6-sulfamoyl-phenyl]ethanoate

Systemtic Name: tert-butyl 2-[3-methoxy-2-(phenylmethoxycarbonylamino)-6-sulfamoyl-phenyl]ethanoate Openeye Name: tert-butyl 2-[2-(benzyloxycarbonylamino)-3-methoxy-6-sulfamoyl-phenyl]acetate CAS Name: 2-[3-methoxy-2-(phenylmethoxycarbonylamino)-6-sulfamoylphenyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-methoxy-2-(phenylmethoxycarbonylamino)-6-sulfamoylphenyl]acetate Traditional Name: 2-[2-(benzyloxycarbonylamino)-3-methoxy-6-sulfamoyl-phenyl]acetic acid tert-butyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=C(C=CC(=C1NC(=O)OCC2=CC=CC=C2)OC)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)CC1=C(C=CC(=C1NC(=O)OCC2=CC=CC=C2)OC)S(=O)(=O)N

InChI

InChI=1S/C21H26N2O7S/c1-21(2,3)30-18(24)12-15-17(31(22,26)27)11-10-16(28-4)19(15)23-20(25)29-13-14-8-6-5-7-9-14/h5-11H,12-13H2,1-4H3,(H,23,25)(H2,22,26,27)