dimethyl 2-anthracen-9-yl-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonyl-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 2-anthracen-9-yl-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonyl-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 2-(9-anthryl)-5-(cyclohexylamino)-1-(p-tolylsulfonyl)pyrrole-3,4-dicarboxylate CAS Name: 2-(9-anthracenyl)-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonylpyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-anthracen-9-yl-5-(cyclohexylamino)-1-(4-methylphenyl)sulfonylpyrrole-3,4-dicarboxylate Traditional Name: 2-(9-anthryl)-5-(cyclohexylamino)-1-tosyl-pyrrole-3,4-dicarboxylic acid dimethyl ester Formula: C35H34N2O6S MolecularWeight: 610.71926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2NC3CCCCC3)C(=O)OC)C(=O)OC)C4=C5C=CC=CC5=CC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=C2NC3CCCCC3)C(=O)OC)C(=O)OC)C4=C5C=CC=CC5=CC6=CC=CC=C64

InChI

InChI=1S/C35H34N2O6S/c1-22-17-19-26(20-18-22)44(40,41)37-32(29-27-15-9-7-11-23(27)21-24-12-8-10-16-28(24)29)30(34(38)42-2)31(35(39)43-3)33(37)36-25-13-5-4-6-14-25/h7-12,15-21,25,36H,4-6,13-14H2,1-3H3