4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidin-3-yl]pyrimidine

Systemtic Name: 4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidin-3-yl]pyrimidine Openeye Name: 4-[1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-piperidyl]pyrimidine CAS Name: 4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-piperidinyl]pyrimidine IUPAC Name: 4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidin-3-yl]pyrimidine Traditional Name: 4-[1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-3-piperidyl]pyrimidine Formula: C18H18ClN3O2S2 MolecularWeight: 407.93742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C4=NC=NC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C4=NC=NC=C4

InChI

InChI=1S/C18H18ClN3O2S2/c1-12-15-9-14(19)4-5-17(15)25-18(12)26(23,24)22-8-2-3-13(10-22)16-6-7-20-11-21-16/h4-7,9,11,13H,2-3,8,10H2,1H3