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

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pentyl-piperazine-1-carboxamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pentyl-piperazine-1-carboxamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pentyl-1-piperazinecarboxamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-pentylpiperazine-1-carboxamide Traditional Name: N-amyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Formula: C19H29N3O5S MolecularWeight: 411.51566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCCCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H29N3O5S/c1-2-3-4-8-20-19(23)21-9-11-22(12-10-21)28(24,25)16-6-7-17-18(15-16)27-14-5-13-26-17/h6-7,15H,2-5,8-14H2,1H3,(H,20,23)