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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)N)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H25N3O6S/c23-21(26)18-7-1-2-10-25(18)32(28,29)17-6-3-5-15(13-17)22(27)24-16-8-9-19-20(14-16)31-12-4-11-30-19/h3,5-6,8-9,13-14,18H,1-2,4,7,10-12H2,(H2,23,26)(H,24,27)/t18-/m0/s1