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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H28N2O5S/c1-2-17-6-3-4-7-20(17)24-23(26)18-10-12-25(13-11-18)31(27,28)19-8-9-21-22(16-19)30-15-5-14-29-21/h3-4,6-9,16,18H,2,5,10-15H2,1H3,(H,24,26)