1-[5-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonyl-2-methyl-phenyl]sulfonylazepane

Systemtic Name: 1-[5-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonyl-2-methyl-phenyl]sulfonylazepane Openeye Name: 1-[5-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonyl-2-methyl-phenyl]sulfonylazepane CAS Name: 1-[5-[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfonyl-2-methylphenyl]sulfonylazepane IUPAC Name: 1-[5-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfonyl-2-methylphenyl]sulfonylazepane Traditional Name: 1-[5-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfonyl-2-methyl-phenyl]sulfonylazepane Formula: C26H36N2O6S3 MolecularWeight: 568.76884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O6S3/c1-21-11-13-23(19-25(21)36(31,32)27-15-7-3-4-8-16-27)35(29,30)24-14-12-22(2)26(20-24)37(33,34)28-17-9-5-6-10-18-28/h11-14,19-20H,3-10,15-18H2,1-2H3