2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]furan-3-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]furan-3-carboxylic acid Openeye Name: 2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]furan-3-carboxylic acid CAS Name: 2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-3-furancarboxylic acid IUPAC Name: 2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]furan-3-carboxylic acid Traditional Name: 2,5-dimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-3-furoic acid Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

InChI

InChI=1S/C13H20N2O5S/c1-9-11(13(16)17)12(10(2)20-9)21(18,19)15-6-4-5-14(3)7-8-15/h4-8H2,1-3H3,(H,16,17)