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

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H22N4O6S3 MolecularWeight: 510.60688

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H22N4O6S3/c1-30-10-9-23-16-12-15(24(26)27)6-7-17(16)32-20(23)21-19(25)14-4-2-8-22(13-14)33(28,29)18-5-3-11-31-18/h3,5-7,11-12,14H,2,4,8-10,13H2,1H3