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

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H18N4O5S3 MolecularWeight: 466.55432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O5S3/c1-20-14-10-13(22(24)25)6-7-15(14)29-18(20)19-17(23)12-4-2-8-21(11-12)30(26,27)16-5-3-9-28-16/h3,5-7,9-10,12H,2,4,8,11H2,1H3