4-butyl-1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 4-butyl-1-(4-methoxyphenyl)sulfonyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 4-butyl-1-(4-methoxyphenyl)sulfonyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 4-butyl-1-(4-methoxyphenyl)sulfonyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 4-butyl-1-(4-methoxyphenyl)sulfonyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 4-butyl-5-keto-1-(4-methoxyphenyl)sulfonyl-piperazine-2-carboxylic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCN1CC(N(CC1=O)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C16H22N2O6S/c1-3-4-9-17-10-14(16(20)21)18(11-15(17)19)25(22,23)13-7-5-12(24-2)6-8-13/h5-8,14H,3-4,9-11H2,1-2H3,(H,20,21)