(2R)-N-aminocarbonyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-carbamoyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenyl-acetamide CAS Name: (2R)-N-carbamoyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-2-phenylacetamide IUPAC Name: (2R)-N-carbamoyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-carbamoyl-2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-2-phenyl-acetamide Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(C4=CC=CC=C4)C(=O)NC(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)[C@H](C4=CC=CC=C4)C(=O)NC(=O)N)OC1

InChI

InChI=1S/C22H26N4O6S/c23-22(28)24-21(27)20(16-5-2-1-3-6-16)25-9-11-26(12-10-25)33(29,30)17-7-8-18-19(15-17)32-14-4-13-31-18/h1-3,5-8,15,20H,4,9-14H2,(H3,23,24,27,28)/t20-/m1/s1