N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)piperidine-4-carboxamide CAS Name: N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2-methoxy-5-morpholinosulfonyl-phenyl)isonipecotamide Formula: C24H31N3O7S2 MolecularWeight: 537.64884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O7S2/c1-33-23-8-7-21(36(31,32)27-13-15-34-16-14-27)17-22(23)25-24(28)20-9-11-26(12-10-20)35(29,30)18-19-5-3-2-4-6-19/h2-8,17,20H,9-16,18H2,1H3,(H,25,28)