2-[2,4,6-trimethyl-3-(thiophen-3-ylsulfonylcarbamoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[2,4,6-trimethyl-3-(thiophen-3-ylsulfonylcarbamoylamino)phenyl]ethanoic acid Openeye Name: 2-[2,4,6-trimethyl-3-(3-thienylsulfonylcarbamoylamino)phenyl]acetic acid CAS Name: 2-[2,4,6-trimethyl-3-[[oxo-(3-thiophenylsulfonylamino)methyl]amino]phenyl]acetic acid IUPAC Name: 2-[2,4,6-trimethyl-3-(thiophen-3-ylsulfonylcarbamoylamino)phenyl]acetic acid Traditional Name: 2-[2,4,6-trimethyl-3-(3-thienylsulfonylcarbamoylamino)phenyl]acetic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC(=O)O)C)NC(=O)NS(=O)(=O)C2=CSC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC(=O)O)C)NC(=O)NS(=O)(=O)C2=CSC=C2)C

InChI

InChI=1S/C16H18N2O5S2/c1-9-6-10(2)15(11(3)13(9)7-14(19)20)17-16(21)18-25(22,23)12-4-5-24-8-12/h4-6,8H,7H2,1-3H3,(H,19,20)(H2,17,18,21)