N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[3-(2-ethoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H24N4O6S3 MolecularWeight: 524.63346

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O6S3/c1-2-31-12-11-23-17-14-15(25(27)28)8-9-18(17)33-21(23)22-20(26)16-6-3-4-10-24(16)34(29,30)19-7-5-13-32-19/h5,7-9,13-14,16H,2-4,6,10-12H2,1H3