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

Systemtic Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Openeye Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid CAS Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid IUPAC Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Traditional Name: 2-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzoic acid Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H18N2O4S/c1-14-7-4-8-15(10-9-14)20(18,19)12-6-3-2-5-11(12)13(16)17/h2-3,5-6H,4,7-10H2,1H3,(H,16,17)