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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-piperonyl-isonipecotamide Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H20ClN3O7S/c21-16-3-2-15(24(26)27)10-19(16)32(28,29)23-7-5-14(6-8-23)20(25)22-11-13-1-4-17-18(9-13)31-12-30-17/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)