2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thienyl]acetic acid CAS Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]thiophen-2-yl]acetic acid Traditional Name: 2-[5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-2-thienyl]acetic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)O

InChI

InChI=1S/C12H18N2O4S2/c1-13-5-2-6-14(8-7-13)20(17,18)12-4-3-10(19-12)9-11(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)