4-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-5-(phenylmethyl)pyrimidine

Systemtic Name: 4-[1-(5-chloranylthiophen-2-yl)sulfonylpiperidin-4-yl]-2-methyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[1-[(5-chloro-2-thienyl)sulfonyl]-4-piperidyl]-2-methyl-pyrimidine CAS Name: 4-[1-[(5-chloro-2-thiophenyl)sulfonyl]-4-piperidinyl]-2-methyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methylpyrimidine Traditional Name: 5-benzyl-4-[1-[(5-chloro-2-thienyl)sulfonyl]-4-piperidyl]-2-methyl-pyrimidine Formula: C21H22ClN3O2S2 MolecularWeight: 448.00128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2S2/c1-15-23-14-18(13-16-5-3-2-4-6-16)21(24-15)17-9-11-25(12-10-17)29(26,27)20-8-7-19(22)28-20/h2-8,14,17H,9-13H2,1H3