2-(4-methylphenyl)sulfonyl-5-(phenylsulfonyl)-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-(phenylsulfonyl)-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one Openeye Name: 5-(benzenesulfonyl)-2-(p-tolylsulfonyl)-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one CAS Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one IUPAC Name: 5-(benzenesulfonyl)-2-(4-methylphenyl)sulfonyl-1,3,4,6-tetrahydrocyclopenta[c]azepin-7-one Traditional Name: 5-besyl-2-tosyl-1,3,4,6-tetrahydrocyclopent[c]azepin-7-one Formula: C22H21NO5S2 MolecularWeight: 443.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C3CC(=O)C=C3C2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C3CC(=O)C=C3C2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5S2/c1-16-7-9-20(10-8-16)30(27,28)23-12-11-22(21-14-18(24)13-17(21)15-23)29(25,26)19-5-3-2-4-6-19/h2-10,13H,11-12,14-15H2,1H3