1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Openeye Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-[(5-chloro-2-thienyl)sulfonyl]piperidine-2-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)piperidine-2-carboxamide Traditional Name: N-(3-allyl-5-nitro-1,3-benzothiazol-2-ylidene)-1-[(5-chloro-2-thienyl)sulfonyl]pipecolinamide Formula: C20H19ClN4O5S3 MolecularWeight: 527.03666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H19ClN4O5S3/c1-2-10-23-15-12-13(25(27)28)6-7-16(15)31-20(23)22-19(26)14-5-3-4-11-24(14)33(29,30)18-9-8-17(21)32-18/h2,6-9,12,14H,1,3-5,10-11H2