2-(1,2-benzoxazol-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-indoxazen-3-yl-1-(4-mesitylsulfonylpiperazino)ethanone Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC3=NOC4=CC=CC=C43)C

InChI

InChI=1S/C22H25N3O4S/c1-15-12-16(2)22(17(3)13-15)30(27,28)25-10-8-24(9-11-25)21(26)14-19-18-6-4-5-7-20(18)29-23-19/h4-7,12-13H,8-11,14H2,1-3H3