[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-2-yl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-2-yl)methanone Openeye Name: (6-methyl-2-pyridyl)-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(6-methyl-2-pyridinyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(6-methylpyridin-2-yl)methanone Traditional Name: (6-methyl-2-pyridyl)-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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