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

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-benzothiophene-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-4-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazino)sulfonylphenyl]-4-fluoro-benzothiophene-2-carboxamide Formula: C21H22FN3O3S2 MolecularWeight: 447.546083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

Isomeric SMILES

CCN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC4=C(C=CC=C4S3)F

InChI

InChI=1S/C21H22FN3O3S2/c1-2-24-9-11-25(12-10-24)30(27,28)16-6-3-5-15(13-16)23-21(26)20-14-17-18(22)7-4-8-19(17)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,23,26)