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

Systemtic Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzothiophene-2-carboxamide CAS Name: N-[3-[(4-ethyl-1-piperazinyl)sulfonyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazino)sulfonylphenyl]benzothiophene-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-2-23-10-12-24(13-11-23)29(26,27)18-8-5-7-17(15-18)22-21(25)20-14-16-6-3-4-9-19(16)28-20/h3-9,14-15H,2,10-13H2,1H3,(H,22,25)