2,2,5,5-tetramethyl-1-methylsulfonyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-yl-pyrrole

Systemtic Name: 2,2,5,5-tetramethyl-1-methylsulfonyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-yl-pyrrole Openeye Name: 2,2,5,5-tetramethyl-1-methylsulfonyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-yl-pyrrole CAS Name: 2,2,5,5-tetramethyl-1-methylsulfonyl-3-[(methylsulfonylthio)methyl]-4-(1-pyrenyl)pyrrole IUPAC Name: 2,2,5,5-tetramethyl-1-methylsulfonyl-3-(methylsulfonylsulfanylmethyl)-4-pyren-1-ylpyrrole Traditional Name: 1-mesyl-3-[(mesylthio)methyl]-2,2,5,5-tetramethyl-4-pyren-1-yl-3-pyrroline Formula: C27H29NO4S3 MolecularWeight: 527.71846

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(N1S(=O)(=O)C)(C)C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CSS(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(N1S(=O)(=O)C)(C)C)C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)CSS(=O)(=O)C)C

InChI

InChI=1S/C27H29NO4S3/c1-26(2)22(16-33-35(6,31)32)25(27(3,4)28(26)34(5,29)30)21-15-13-19-11-10-17-8-7-9-18-12-14-20(21)24(19)23(17)18/h7-15H,16H2,1-6H3