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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1S)-1-p-phenetylethyl]isonipecotamide Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H](C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C25H32N2O6S/c1-3-31-21-7-5-19(6-8-21)18(2)26-25(28)20-11-13-27(14-12-20)34(29,30)22-9-10-23-24(17-22)33-16-4-15-32-23/h5-10,17-18,20H,3-4,11-16H2,1-2H3,(H,26,28)/t18-/m0/s1