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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2S)-2-phenylpropyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(2S)-2-phenylpropyl]isonipecotamide Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2O5S/c1-18(19-6-3-2-4-7-19)17-25-24(27)20-10-12-26(13-11-20)32(28,29)21-8-9-22-23(16-21)31-15-5-14-30-22/h2-4,6-9,16,18,20H,5,10-15,17H2,1H3,(H,25,27)/t18-/m1/s1