1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonylphenyl]sulfonylazepane

Systemtic Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonylphenyl]sulfonylazepane Openeye Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonylphenyl]sulfonylazepane CAS Name: 1-[3-[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfonylphenyl]sulfonylazepane IUPAC Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfonylphenyl]sulfonylazepane Traditional Name: 1-[3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonylphenyl]sulfonylazepane Formula: C25H34N2O6S3 MolecularWeight: 554.74226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H34N2O6S3/c1-21-13-14-23(20-25(21)36(32,33)27-17-8-4-5-9-18-27)34(28,29)22-11-10-12-24(19-22)35(30,31)26-15-6-2-3-7-16-26/h10-14,19-20H,2-9,15-18H2,1H3