(3R)-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide

Systemtic Name: (3R)-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide Openeye Name: (3R)-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide CAS Name: (3R)-1-[3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3R)-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3R)-1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]sulfonylnipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C(=O)N

InChI

InChI=1S/C22H25N3O6S/c23-21(26)16-5-2-9-25(14-16)32(28,29)18-6-1-4-15(12-18)22(27)24-17-7-8-19-20(13-17)31-11-3-10-30-19/h1,4,6-8,12-13,16H,2-3,5,9-11,14H2,(H2,23,26)(H,24,27)/t16-/m1/s1