[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxypyridin-3-yl)methanone

Systemtic Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxypyridin-3-yl)methanone Openeye Name: (2-methoxy-3-pyridyl)-[4-(4-sec-butylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-(2-methoxy-3-pyridinyl)methanone IUPAC Name: [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methoxypyridin-3-yl)methanone Traditional Name: (2-methoxy-3-pyridyl)-[4-(4-sec-butylphenyl)sulfonylpiperazino]methanone Formula: C21H27N3O4S MolecularWeight: 417.52178

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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=C(N=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-4-16(2)17-7-9-18(10-8-17)29(26,27)24-14-12-23(13-15-24)21(25)19-6-5-11-22-20(19)28-3/h5-11,16H,4,12-15H2,1-3H3