N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)isonipecotamide 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)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O5S3/c1-20-14-11-13(22(24)25)4-5-15(14)29-18(20)19-17(23)12-6-8-21(9-7-12)30(26,27)16-3-2-10-28-16/h2-5,10-12H,6-9H2,1H3