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

Systemtic Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-N-cyclopropyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(CC4=CC=CC=C4)C5CC5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N(CC4=CC=CC=C4)C5CC5)OC1

InChI

InChI=1S/C25H30N2O5S/c28-25(27(21-7-8-21)18-19-5-2-1-3-6-19)20-11-13-26(14-12-20)33(29,30)22-9-10-23-24(17-22)32-16-4-15-31-23/h1-3,5-6,9-10,17,20-21H,4,7-8,11-16,18H2