3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-4-chloranyl-benzoic acid

Systemtic Name: 3-(3-azanyl-3-oxidanylidene-propyl)sulfonyl-4-chloranyl-benzoic acid Openeye Name: 3-(3-amino-3-oxo-propyl)sulfonyl-4-chloro-benzoic acid CAS Name: 3-(3-amino-3-oxopropyl)sulfonyl-4-chlorobenzoic acid IUPAC Name: 3-(3-amino-3-oxopropyl)sulfonyl-4-chlorobenzoic acid Traditional Name: 3-(3-amino-3-keto-propyl)sulfonyl-4-chloro-benzoic acid Formula: C10H10ClNO5S MolecularWeight: 291.7081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCC(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)CCC(=O)N)Cl

InChI

InChI=1S/C10H10ClNO5S/c11-7-2-1-6(10(14)15)5-8(7)18(16,17)4-3-9(12)13/h1-2,5H,3-4H2,(H2,12,13)(H,14,15)