1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-4-piperidinecarboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCN(C4)CC5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)N[C@@H]4CCN(C4)CC5=CC=CC=C5)OC1

InChI

InChI=1S/C26H33N3O5S/c30-26(27-22-11-12-28(19-22)18-20-5-2-1-3-6-20)21-9-13-29(14-10-21)35(31,32)23-7-8-24-25(17-23)34-16-4-15-33-24/h1-3,5-8,17,21-22H,4,9-16,18-19H2,(H,27,30)/t22-/m1/s1