1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isonipecotamide Formula: C21H22ClN3O7S MolecularWeight: 495.93328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC[C@H]2COC3=CC=CC=C3O2)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O7S/c22-17-6-5-15(25(27)28)11-20(17)33(29,30)24-9-7-14(8-10-24)21(26)23-12-16-13-31-18-3-1-2-4-19(18)32-16/h1-6,11,14,16H,7-10,12-13H2,(H,23,26)/t16-/m0/s1