tert-butyl 2-[2-(4-methylphenyl)sulfonylethyl]-5-(phenylmethyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(4-methylphenyl)sulfonylethyl]-5-(phenylmethyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-benzyl-5-[2-(p-tolylsulfonyl)ethyl]pyrrole-1-carboxylate CAS Name: 2-[2-(4-methylphenyl)sulfonylethyl]-5-(phenylmethyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzyl-5-[2-(4-methylphenyl)sulfonylethyl]pyrrole-1-carboxylate Traditional Name: 2-benzyl-5-(2-tosylethyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(N2C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=C(N2C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H29NO4S/c1-19-10-14-23(15-11-19)31(28,29)17-16-21-12-13-22(18-20-8-6-5-7-9-20)26(21)24(27)30-25(2,3)4/h5-15H,16-18H2,1-4H3