tert-butyl 5-methyl-3-phenyl-4-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-methyl-3-phenyl-4-[2-[(4-sulfamoylphenyl)amino]pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-methyl-3-phenyl-4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-3-phenyl-4-[2-(4-sulfamoylanilino)-4-pyrimidinyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methyl-3-phenyl-4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylate Traditional Name: 5-methyl-3-phenyl-4-[2-(4-sulfamoylanilino)pyrimidin-4-yl]-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)OC(C)(C)C)C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C26H27N5O4S/c1-16-21(22(17-8-6-5-7-9-17)23(29-16)24(32)35-26(2,3)4)20-14-15-28-25(31-20)30-18-10-12-19(13-11-18)36(27,33)34/h5-15,29H,1-4H3,(H2,27,33,34)(H,28,30,31)