4-chloranyl-2-(furan-2-ylmethylamino)-5-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-propan-2-ylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-isopropylsulfonyl-benzoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-propan-2-ylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-propan-2-ylsulfonylbenzoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-isopropylsulfonyl-benzoic acid Formula: C15H16ClNO5S MolecularWeight: 357.80924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)NCC2=CC=CO2)Cl

InChI

InChI=1S/C15H16ClNO5S/c1-9(2)23(20,21)14-6-11(15(18)19)13(7-12(14)16)17-8-10-4-3-5-22-10/h3-7,9,17H,8H2,1-2H3,(H,18,19)