4-[2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]ethyl]benzoic acid

Systemtic Name: 4-[2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]ethyl]benzoic acid Openeye Name: 4-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]ethyl]benzoic acid CAS Name: 4-[2-[(4-bromo-3-methylphenyl)sulfonylamino]ethyl]benzoic acid IUPAC Name: 4-[2-[(4-bromo-3-methylphenyl)sulfonylamino]ethyl]benzoic acid Traditional Name: 4-[2-[(4-bromo-3-methyl-phenyl)sulfonylamino]ethyl]benzoic acid Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-10-14(6-7-15(11)17)23(21,22)18-9-8-12-2-4-13(5-3-12)16(19)20/h2-7,10,18H,8-9H2,1H3,(H,19,20)