2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylic acid

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylic acid Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylic acid CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylic acid Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazino]methyl]-3-furoic acid Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=C(C=CO3)C(=O)O)C

InChI

InChI=1S/C18H22N2O5S/c1-13-3-4-15(11-14(13)2)26(23,24)20-8-6-19(7-9-20)12-17-16(18(21)22)5-10-25-17/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22)