4-(5-ethenylthiophen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one

Systemtic Name: 4-(5-ethenylthiophen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Openeye Name: 1-[[1-(4-pyridyl)-4-piperidyl]methyl]-4-[(5-vinyl-2-thienyl)sulfonyl]piperazin-2-one CAS Name: 4-[(5-ethenyl-2-thiophenyl)sulfonyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-2-piperazinone IUPAC Name: 4-(5-ethenylthiophen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one Traditional Name: 1-[[1-(4-pyridyl)-4-piperidyl]methyl]-4-[(5-vinyl-2-thienyl)sulfonyl]piperazin-2-one Formula: C21H26N4O3S2 MolecularWeight: 446.58614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(S1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

C=CC1=CC=C(S1)S(=O)(=O)N2CCN(C(=O)C2)CC3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H26N4O3S2/c1-2-19-3-4-21(29-19)30(27,28)25-14-13-24(20(26)16-25)15-17-7-11-23(12-8-17)18-5-9-22-10-6-18/h2-6,9-10,17H,1,7-8,11-16H2