4-octyl-5-oxidanylidene-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-octyl-5-oxidanylidene-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-octyl-5-oxo-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylic acid CAS Name: 4-octyl-5-oxo-1-[4-(1-pyrrolyl)phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 4-octyl-5-oxo-1-(4-pyrrol-1-ylphenyl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 5-keto-4-octyl-1-(4-pyrrol-1-ylphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C23H31N3O5S MolecularWeight: 461.57434

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-2-3-4-5-6-7-16-25-17-21(23(28)29)26(18-22(25)27)32(30,31)20-12-10-19(11-13-20)24-14-8-9-15-24/h8-15,21H,2-7,16-18H2,1H3,(H,28,29)