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

Systemtic Name: N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)piperidine-4-carboxamide CAS Name: N-[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(2-methoxy-5-pyrrolidinosulfonyl-phenyl)isonipecotamide Formula: C24H31N3O6S2 MolecularWeight: 521.64944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)NC(=O)C3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O6S2/c1-33-23-10-9-21(35(31,32)27-13-5-6-14-27)17-22(23)25-24(28)20-11-15-26(16-12-20)34(29,30)18-19-7-3-2-4-8-19/h2-4,7-10,17,20H,5-6,11-16,18H2,1H3,(H,25,28)