[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(6-methyl-3-pyridyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(6-methyl-3-pyridinyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-3-yl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(6-methyl-3-pyridyl)methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-16-5-6-17(15-22-16)20(25)23-11-13-24(14-12-23)28(26,27)19-9-7-18(8-10-19)21(2,3)4/h5-10,15H,11-14H2,1-4H3