2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 2-(4-bromophenyl)sulfanyl-5-morpholinosulfonyl-benzoic acid CAS Name: 2-[(4-bromophenyl)thio]-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 2-(4-bromophenyl)sulfanyl-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 2-[(4-bromophenyl)thio]-5-morpholinosulfonyl-benzoic acid Formula: C17H16BrNO5S2 MolecularWeight: 458.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C17H16BrNO5S2/c18-12-1-3-13(4-2-12)25-16-6-5-14(11-15(16)17(20)21)26(22,23)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,20,21)