1-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfanylphenyl]sulfonylazepane

Systemtic Name: 1-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfanylphenyl]sulfonylazepane Openeye Name: 1-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfanylphenyl]sulfonylazepane CAS Name: 1-[4-[[4-(1-azepanylsulfonyl)phenyl]thio]phenyl]sulfonylazepane IUPAC Name: 1-[4-[4-(azepan-1-ylsulfonyl)phenyl]sulfanylphenyl]sulfonylazepane Traditional Name: 1-[4-[[4-(azepan-1-ylsulfonyl)phenyl]thio]phenyl]sulfonylazepane Formula: C24H32N2O4S3 MolecularWeight: 508.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N2O4S3/c27-32(28,25-17-5-1-2-6-18-25)23-13-9-21(10-14-23)31-22-11-15-24(16-12-22)33(29,30)26-19-7-3-4-8-20-26/h9-16H,1-8,17-20H2