3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-ethylpiperazino)sulfonylphenyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C21H21ClFN3O3S2 MolecularWeight: 481.991143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O3S2/c1-2-25-9-11-26(12-10-25)31(28,29)16-6-4-15(5-7-16)24-21(27)20-19(22)17-8-3-14(23)13-18(17)30-20/h3-8,13H,2,9-12H2,1H3,(H,24,27)