5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-benzoic acid

Systemtic Name: 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-benzoic acid Openeye Name: 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxy-benzoic acid CAS Name: 5-[[(3S,5R)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxybenzoic acid IUPAC Name: 5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-ethoxybenzoic acid Traditional Name: 5-[(3S,5R)-3,5-dimethylpiperazino]sulfonyl-2-ethoxy-benzoic acid Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CC(NC(C2)C)C)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2C[C@H](N[C@H](C2)C)C)C(=O)O

InChI

InChI=1S/C15H22N2O5S/c1-4-22-14-6-5-12(7-13(14)15(18)19)23(20,21)17-8-10(2)16-11(3)9-17/h5-7,10-11,16H,4,8-9H2,1-3H3,(H,18,19)/t10-,11+