4-[4-[2-(azepan-1-yl)ethoxy]phenyl]benzenesulfonic acid

Systemtic Name: 4-[4-[2-(azepan-1-yl)ethoxy]phenyl]benzenesulfonic acid Openeye Name: 4-[4-[2-(azepan-1-yl)ethoxy]phenyl]benzenesulfonic acid CAS Name: 4-[4-[2-(1-azepanyl)ethoxy]phenyl]benzenesulfonic acid IUPAC Name: 4-[4-[2-(azepan-1-yl)ethoxy]phenyl]benzenesulfonic acid Traditional Name: 4-[4-[2-(azepan-1-yl)ethoxy]phenyl]besylic acid Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1CCCN(CC1)CCOC2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C20H25NO4S/c22-26(23,24)20-11-7-18(8-12-20)17-5-9-19(10-6-17)25-16-15-21-13-3-1-2-4-14-21/h5-12H,1-4,13-16H2,(H,22,23,24)