3-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(4-mesylpiperazino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C20H19ClN4O5S2 MolecularWeight: 494.97166

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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=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O5S2/c1-32(29,30)24-11-9-23(10-12-24)14-7-5-13(6-8-14)22-20(26)19-17(21)15-3-2-4-16(25(27)28)18(15)31-19/h2-8H,9-12H2,1H3,(H,22,26)