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

Systemtic Name: 2-[4-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-5-propyl-pyrimidine Openeye Name: 2-[4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylpiperazin-1-yl]-5-propyl-pyrimidine CAS Name: 2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-piperazinyl]-5-propylpyrimidine IUPAC Name: 2-[4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]-5-propylpyrimidine Traditional Name: 2-[4-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylpiperazino]-5-propyl-pyrimidine Formula: C20H23ClN4O2S2 MolecularWeight: 451.00522

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CCN(CC2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C20H23ClN4O2S2/c1-3-4-15-12-22-20(23-13-15)24-7-9-25(10-8-24)29(26,27)19-14(2)17-11-16(21)5-6-18(17)28-19/h5-6,11-13H,3-4,7-10H2,1-2H3