2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]ethanethioic S-acid

Systemtic Name: 2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]ethanethioic S-acid Openeye Name: 2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]chroman-7-yl]ethanethioic S-acid CAS Name: 2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-1-benzopyran-7-yl]ethanethioic S-acid IUPAC Name: 2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydro-2H-chromen-7-yl]ethanethioic S-acid Traditional Name: 2-[4-[[(4-chlorophenyl)sulfonylamino]methyl]chroman-7-yl]thioacetic acid Formula: C18H18ClNO4S2 MolecularWeight: 411.92282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1CNS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)CC(=O)S

Isomeric SMILES

C1COC2=C(C1CNS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)CC(=O)S

InChI

InChI=1S/C18H18ClNO4S2/c19-14-2-4-15(5-3-14)26(22,23)20-11-13-7-8-24-17-9-12(10-18(21)25)1-6-16(13)17/h1-6,9,13,20H,7-8,10-11H2,(H,21,25)