1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-thiochroman-4-yl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(4S)-thiochroman-4-yl]isonipecotamide Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCSC5=CC=CC=C45)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N[C@H]4CCSC5=CC=CC=C45)OC1

InChI

InChI=1S/C24H28N2O5S2/c27-24(25-20-10-15-32-23-5-2-1-4-19(20)23)17-8-11-26(12-9-17)33(28,29)18-6-7-21-22(16-18)31-14-3-13-30-21/h1-2,4-7,16-17,20H,3,8-15H2,(H,25,27)/t20-/m0/s1