3-[3-(azepan-1-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide

Systemtic Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide Openeye Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide CAS Name: 3-[3-(1-azepanylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide IUPAC Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]sulfonylthiolane 1,1-dioxide Traditional Name: 3-[3-(azepan-1-ylsulfonyl)phenyl]sulfonylsulfolane Formula: C16H23NO6S3 MolecularWeight: 421.55192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C16H23NO6S3/c18-24(19)11-8-16(13-24)25(20,21)14-6-5-7-15(12-14)26(22,23)17-9-3-1-2-4-10-17/h5-7,12,16H,1-4,8-11,13H2