(2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-propyl-propanamide

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-propyl-propanamide Openeye Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-propyl-propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-N-propylpropanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-propylpropanamide Traditional Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-N-propyl-propionamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC(=O)[C@H](C)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H27N3O5S/c1-3-6-19-18(22)14(2)20-7-9-21(10-8-20)27(23,24)15-4-5-16-17(13-15)26-12-11-25-16/h4-5,13-14H,3,6-12H2,1-2H3,(H,19,22)/t14-/m0/s1