1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[2-(prop-2-enylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C24H28N2O5S2 MolecularWeight: 488.61952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H28N2O5S2/c1-2-16-32-23-7-4-3-6-20(23)25-24(27)18-10-12-26(13-11-18)33(28,29)19-8-9-21-22(17-19)31-15-5-14-30-21/h2-4,6-9,17-18H,1,5,10-16H2,(H,25,27)