3-[2-(azepan-1-yl)ethoxy]-4-phenyl-benzenesulfinate

Systemtic Name: 3-[2-(azepan-1-yl)ethoxy]-4-phenyl-benzenesulfinate Openeye Name: 3-[2-(azepan-1-yl)ethoxy]-4-phenyl-benzenesulfinate CAS Name: 3-[2-(1-azepanyl)ethoxy]-4-phenylbenzenesulfinate IUPAC Name: 3-[2-(azepan-1-yl)ethoxy]-4-phenylbenzenesulfinate Traditional Name: 3-[2-(azepan-1-yl)ethoxy]-4-phenyl-benzenesulfinate Formula: C20H24NO3S- MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c22-25(23)18-10-11-19(17-8-4-3-5-9-17)20(16-18)24-15-14-21-12-6-1-2-7-13-21/h3-5,8-11,16H,1-2,6-7,12-15H2,(H,22,23)/p-1