6-[2-azanyl-2-(4-chlorophenyl)sulfonyl-ethanoyl]-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 6-[2-azanyl-2-(4-chlorophenyl)sulfonyl-ethanoyl]-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 6-[2-amino-2-(4-chlorophenyl)sulfonyl-acetyl]chromane-2-carboxylic acid CAS Name: 6-[2-amino-2-(4-chlorophenyl)sulfonyl-1-oxoethyl]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 6-[2-amino-2-(4-chlorophenyl)sulfonylacetyl]-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 6-[2-amino-2-(4-chlorophenyl)sulfonyl-acetyl]chroman-2-carboxylic acid Formula: C18H16ClNO6S MolecularWeight: 409.84074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)C(N)S(=O)(=O)C3=CC=C(C=C3)Cl)OC1C(=O)O

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)C(N)S(=O)(=O)C3=CC=C(C=C3)Cl)OC1C(=O)O

InChI

InChI=1S/C18H16ClNO6S/c19-12-3-5-13(6-4-12)27(24,25)17(20)16(21)11-2-7-14-10(9-11)1-8-15(26-14)18(22)23/h2-7,9,15,17H,1,8,20H2,(H,22,23)