1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)piperidine-4-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)isonipecotamide Formula: C20H17ClN4O5S3 MolecularWeight: 525.02078

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C#CCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H17ClN4O5S3/c1-2-9-24-15-12-14(25(27)28)3-4-16(15)31-20(24)22-19(26)13-7-10-23(11-8-13)33(29,30)18-6-5-17(21)32-18/h1,3-6,12-13H,7-11H2