4-(4-methyl-1,4-diazepan-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)benzenesulfonic acid Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)benzenesulfonic acid CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)benzenesulfonic acid IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)benzenesulfonic acid Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)besylic acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3S/c1-13-7-2-8-14(10-9-13)11-3-5-12(6-4-11)18(15,16)17/h3-6H,2,7-10H2,1H3,(H,15,16,17)