3-azanyl-4-(4-ethenylphenyl)sulfonyl-3-piperidin-4-yl-1-pyridin-4-yl-piperazin-2-one

Systemtic Name: 3-azanyl-4-(4-ethenylphenyl)sulfonyl-3-piperidin-4-yl-1-pyridin-4-yl-piperazin-2-one Openeye Name: 3-amino-3-(4-piperidyl)-1-(4-pyridyl)-4-(4-vinylphenyl)sulfonyl-piperazin-2-one CAS Name: 3-amino-4-(4-ethenylphenyl)sulfonyl-3-(4-piperidinyl)-1-pyridin-4-yl-2-piperazinone IUPAC Name: 3-amino-4-(4-ethenylphenyl)sulfonyl-3-piperidin-4-yl-1-pyridin-4-ylpiperazin-2-one Traditional Name: 3-amino-3-(4-piperidyl)-1-(4-pyridyl)-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(C3CCNCC3)N)C4=CC=NC=C4

Isomeric SMILES

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

InChI

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