N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)-1-(2-nitrophenyl)isonipecotamide Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C22H25ClN4O5S/c23-18-8-7-17(15-21(18)33(31,32)26-11-3-4-12-26)24-22(28)16-9-13-25(14-10-16)19-5-1-2-6-20(19)27(29)30/h1-2,5-8,15-16H,3-4,9-14H2,(H,24,28)