2-bromanyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid CAS Name: 2-bromo-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Formula: C13H17BrN2O4S MolecularWeight: 377.25408

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H17BrN2O4S/c1-15-5-2-6-16(8-7-15)21(19,20)10-3-4-12(14)11(9-10)13(17)18/h3-4,9H,2,5-8H2,1H3,(H,17,18)