[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone CAS Name: [1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[1-[(E)-styryl]sulfonyl-4-piperidyl]methanone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c28-21(25-14-16-26(17-15-25)22-23-10-4-11-24-22)20-7-12-27(13-8-20)31(29,30)18-9-19-5-2-1-3-6-19/h1-6,9-11,18,20H,7-8,12-17H2/b18-9+