4-(4-ethenylphenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazin-2-one

Systemtic Name: 4-(4-ethenylphenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazin-2-one Openeye Name: 1-[4-piperidyl(4-pyridyl)amino]-4-(4-vinylphenyl)sulfonyl-piperazin-2-one CAS Name: 4-(4-ethenylphenyl)sulfonyl-1-[4-piperidinyl(pyridin-4-yl)amino]-2-piperazinone IUPAC Name: 4-(4-ethenylphenyl)sulfonyl-1-[piperidin-4-yl(pyridin-4-yl)amino]piperazin-2-one Traditional Name: 1-[4-piperidyl(4-pyridyl)amino]-4-(4-vinylphenyl)sulfonyl-piperazin-2-one Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)N(C3CCNCC3)C4=CC=NC=C4

Isomeric SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(=O)C2)N(C3CCNCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5O3S/c1-2-18-3-5-21(6-4-18)31(29,30)25-15-16-26(22(28)17-25)27(19-7-11-23-12-8-19)20-9-13-24-14-10-20/h2-8,11-12,20,24H,1,9-10,13-17H2