tert-butyl 2-[4-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[4-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[4-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]pyrrole-1-carboxylate CAS Name: 2-[4-[2-methyl-5-(4-methylsulfonylphenyl)-1-pyrrolyl]phenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]pyrrole-1-carboxylate Traditional Name: 2-[4-[2-(4-mesylphenyl)-5-methyl-pyrrol-1-yl]phenyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C3=CC=CN3C(=O)OC(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C3=CC=CN3C(=O)OC(C)(C)C)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C27H28N2O4S/c1-19-8-17-25(21-11-15-23(16-12-21)34(5,31)32)29(19)22-13-9-20(10-14-22)24-7-6-18-28(24)26(30)33-27(2,3)4/h6-18H,1-5H3