[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: [4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-(4-pyridyl)methanone CAS Name: [4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-pyridin-4-ylmethanone IUPAC Name: [4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]-(4-pyridyl)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=NC=C3)C)C

InChI

InChI=1S/C21H27N3O3S/c1-14-15(2)17(4)20(18(5)16(14)3)28(26,27)24-12-10-23(11-13-24)21(25)19-6-8-22-9-7-19/h6-9H,10-13H2,1-5H3