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

Systemtic Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophene-2-carboxylic acid Traditional Name: 3-methyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thenoic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)S(=O)(=O)N2CCCN(CC2)C)C(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-9-8-10(19-11(9)12(15)16)20(17,18)14-5-3-4-13(2)6-7-14/h8H,3-7H2,1-2H3,(H,15,16)