(3S)-1-(3-nitrophenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-nitrophenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-benzyloxyphenyl)-1-(3-nitrophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-(3-nitrophenyl)sulfonyl-N-(4-phenylmethoxyphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-nitrophenyl)sulfonyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-benzoxyphenyl)-1-(3-nitrophenyl)sulfonyl-nipecotamide Formula: C25H25N3O6S MolecularWeight: 495.5475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O6S/c29-25(26-21-11-13-23(14-12-21)34-18-19-6-2-1-3-7-19)20-8-5-15-27(17-20)35(32,33)24-10-4-9-22(16-24)28(30)31/h1-4,6-7,9-14,16,20H,5,8,15,17-18H2,(H,26,29)/t20-/m0/s1