N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazine-1-carboxamide Formula: C24H29N5O5S MolecularWeight: 499.58256

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)NCCCC4=NC5=CC=CC=C5N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)NCCCC4=NC5=CC=CC=C5N4)OC1

InChI

InChI=1S/C24H29N5O5S/c30-24(25-10-3-7-23-26-19-5-1-2-6-20(19)27-23)28-11-13-29(14-12-28)35(31,32)18-8-9-21-22(17-18)34-16-4-15-33-21/h1-2,5-6,8-9,17H,3-4,7,10-16H2,(H,25,30)(H,26,27)