3-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-mesylpiperazino)phenyl]benzothiophene-2-carboxamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-29(26,27)24-12-10-23(11-13-24)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)