[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-(4-piperidinosulfonylphenyl)methanone Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C25H30N2O5S/c28-25(19-7-10-21(11-8-19)33(29,30)26-13-2-1-3-14-26)27-15-4-6-22(27)20-9-12-23-24(18-20)32-17-5-16-31-23/h7-12,18,22H,1-6,13-17H2/t22-/m0/s1