N-(1,3-benzothiazol-2-yl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C19H17ClN4O5S2 MolecularWeight: 480.94508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O5S2/c20-14-6-5-13(24(26)27)11-17(14)31(28,29)23-9-7-12(8-10-23)18(25)22-19-21-15-3-1-2-4-16(15)30-19/h1-6,11-12H,7-10H2,(H,21,22,25)