1-(1-benzothiophen-3-ylmethyl)-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-fluoranyl-4,5-dimethoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(benzothiophen-3-ylmethyl)-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1-benzothiophen-3-ylmethyl)-4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylpiperazine Traditional Name: 1-(benzothiophen-3-ylmethyl)-4-(2-fluoro-4,5-dimethoxy-phenyl)sulfonyl-piperazine Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)F

Isomeric SMILES

COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)F

InChI

InChI=1S/C21H23FN2O4S2/c1-27-18-11-17(22)21(12-19(18)28-2)30(25,26)24-9-7-23(8-10-24)13-15-14-29-20-6-4-3-5-16(15)20/h3-6,11-12,14H,7-10,13H2,1-2H3