1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-[2-(1-pyrrolidinyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-morpholinosulfonyl-2-nitro-phenyl)-N-(2-pyrrolidinophenyl)isonipecotamide Formula: C26H33N5O6S MolecularWeight: 543.63512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)C3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O6S/c32-26(27-22-5-1-2-6-23(22)28-11-3-4-12-28)20-9-13-29(14-10-20)24-8-7-21(19-25(24)31(33)34)38(35,36)30-15-17-37-18-16-30/h1-2,5-8,19-20H,3-4,9-18H2,(H,27,32)