N-(5-chloranyl-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-1-(2-nitrophenyl)isonipecotamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCN(C1=NC2=C(S1)C=CC(=C2)Cl)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O3S/c1-2-25(21-23-16-13-15(22)7-8-19(16)30-21)20(27)14-9-11-24(12-10-14)17-5-3-4-6-18(17)26(28)29/h3-8,13-14H,2,9-12H2,1H3