2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-N-(2-phenylpropyl)propanamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-N-(2-phenylpropyl)propionamide Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(CNC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O5S/c1-19(21-7-4-3-5-8-21)18-26-25(29)20(2)27-11-13-28(14-12-27)34(30,31)22-9-10-23-24(17-22)33-16-6-15-32-23/h3-5,7-10,17,19-20H,6,11-16,18H2,1-2H3,(H,26,29)