3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-mesitylsulfonylpiperazino)methanone Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C23H28N2O5S/c1-16-13-17(2)22(18(3)14-16)31(27,28)25-9-7-24(8-10-25)23(26)19-5-6-20-21(15-19)30-12-4-11-29-20/h5-6,13-15H,4,7-12H2,1-3H3