heptadecyl 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate

Systemtic Name: heptadecyl 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Openeye Name: heptadecyl 1-(p-tolylsulfonyl)pyrrole-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-pyrrolecarboxylic acid heptadecyl ester IUPAC Name: heptadecyl 1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate Traditional Name: 1-tosylpyrrole-3-carboxylic acid heptadecyl ester Formula: C29H45NO4S MolecularWeight: 503.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C29H45NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-29(31)27-22-23-30(25-27)35(32,33)28-20-18-26(2)19-21-28/h18-23,25H,3-17,24H2,1-2H3