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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenethyl-piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenethyl-piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenethyl-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenethylpiperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-phenethyl-isonipecotamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H28N2O5S/c26-23(24-12-9-18-5-2-1-3-6-18)19-10-13-25(14-11-19)31(27,28)20-7-8-21-22(17-20)30-16-4-15-29-21/h1-3,5-8,17,19H,4,9-16H2,(H,24,26)