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

Systemtic Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)nipecotamide Formula: C19H20N4O5S3 MolecularWeight: 480.5809

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H20N4O5S3/c1-2-22-15-11-14(23(25)26)7-8-16(15)30-19(22)20-18(24)13-5-3-9-21(12-13)31(27,28)17-6-4-10-29-17/h4,6-8,10-11,13H,2-3,5,9,12H2,1H3