4-[azepan-3-yl(propyl)amino]benzenesulfonic acid

Systemtic Name: 4-[azepan-3-yl(propyl)amino]benzenesulfonic acid Openeye Name: 4-[azepan-3-yl(propyl)amino]benzenesulfonic acid CAS Name: 4-[3-azepanyl(propyl)amino]benzenesulfonic acid IUPAC Name: 4-[azepan-3-yl(propyl)amino]benzenesulfonic acid Traditional Name: 4-[azepan-3-yl(propyl)amino]besylic acid Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCCCNC1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CCCN(C1CCCCNC1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H24N2O3S/c1-2-11-17(14-5-3-4-10-16-12-14)13-6-8-15(9-7-13)21(18,19)20/h6-9,14,16H,2-5,10-12H2,1H3,(H,18,19,20)