[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C21H19ClN4O7S2 MolecularWeight: 538.98116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O7S2/c22-15-6-5-14(26(29)30)11-18(15)35(31,32)25-9-7-13(8-10-25)20(28)33-12-19(27)24-21-23-16-3-1-2-4-17(16)34-21/h1-6,11,13H,7-10,12H2,(H,23,24,27)