4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 4-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 4-(4-carbethoxypiperazino)sulfonylbenzoic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H18N2O6S/c1-2-22-14(19)15-7-9-16(10-8-15)23(20,21)12-5-3-11(4-6-12)13(17)18/h3-6H,2,7-10H2,1H3,(H,17,18)