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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-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-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=CC=C4)OC1

InChI

InChI=1S/C22H26N2O5S/c25-22(23-16-17-5-2-1-3-6-17)18-9-11-24(12-10-18)30(26,27)19-7-8-20-21(15-19)29-14-4-13-28-20/h1-3,5-8,15,18H,4,9-14,16H2,(H,23,25)