3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]azepan-2-one

Systemtic Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]azepan-2-one Openeye Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]azepan-2-one CAS Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-2-azepanone IUPAC Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]azepan-2-one Traditional Name: 3-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]azepan-2-one Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3CCCCNC3=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C3CCCCNC3=O)C)C

InChI

InChI=1S/C20H31N3O3S/c1-14-13-15(2)17(4)19(16(14)3)27(25,26)23-11-9-22(10-12-23)18-7-5-6-8-21-20(18)24/h13,18H,5-12H2,1-4H3,(H,21,24)