N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-(4-methoxy-3-piperidinosulfonyl-phenyl)isonipecotamide Formula: C25H33N3O6S2 MolecularWeight: 535.67602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O6S2/c1-34-23-11-10-22(18-24(23)36(32,33)28-14-6-3-7-15-28)26-25(29)21-12-16-27(17-13-21)35(30,31)19-20-8-4-2-5-9-20/h2,4-5,8-11,18,21H,3,6-7,12-17,19H2,1H3,(H,26,29)