methyl 4-octyl-5-oxidanylidene-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylate

Systemtic Name: methyl 4-octyl-5-oxidanylidene-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylate Openeye Name: methyl 4-octyl-5-oxo-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylate CAS Name: 4-octyl-5-oxo-1-[4-(1-pyrrolyl)phenyl]sulfonyl-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-octyl-5-oxo-1-(4-pyrrol-1-ylphenyl)sulfonylpiperazine-2-carboxylate Traditional Name: 5-keto-4-octyl-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylic acid methyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)N3C=CC=C3)C(=O)OC

InChI

InChI=1S/C24H33N3O5S/c1-3-4-5-6-7-8-17-26-18-22(24(29)32-2)27(19-23(26)28)33(30,31)21-13-11-20(12-14-21)25-15-9-10-16-25/h9-16,22H,3-8,17-19H2,1-2H3