3-(4-ethylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-(4-ethylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid Openeye Name: 3-(4-ethylpiperazin-1-yl)sulfonyl-4-methyl-benzoic acid CAS Name: 3-[(4-ethyl-1-piperazinyl)sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-(4-ethylpiperazin-1-yl)sulfonyl-4-methylbenzoic acid Traditional Name: 3-(4-ethylpiperazino)sulfonyl-4-methyl-benzoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H20N2O4S/c1-3-15-6-8-16(9-7-15)21(19,20)13-10-12(14(17)18)5-4-11(13)2/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)