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

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]isonipecotamide Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O5S/c1-18(2)24(20-9-10-22-23(17-20)32-16-6-15-31-22)26-25(28)19-11-13-27(14-12-19)33(29,30)21-7-4-3-5-8-21/h3-5,7-10,17-19,24H,6,11-16H2,1-2H3,(H,26,28)/t24-/m0/s1