N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-[(4-morpholinosulfonylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(4-morpholinosulfonylbenzyl)-1-(2-nitrophenyl)isonipecotamide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c28-23(19-9-11-25(12-10-19)21-3-1-2-4-22(21)27(29)30)24-17-18-5-7-20(8-6-18)34(31,32)26-13-15-33-16-14-26/h1-8,19H,9-17H2,(H,24,28)