3-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzothiophene-2-carboxamide Formula: C20H21ClN3O3S2+ MolecularWeight: 450.98204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-23-10-12-24(13-11-23)29(26,27)15-8-6-14(7-9-15)22-20(25)19-18(21)16-4-2-3-5-17(16)28-19/h2-9H,10-13H2,1H3,(H,22,25)/p+1