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

Systemtic Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-ethyl-propanamide Openeye Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-ethyl-propanamide CAS Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-N-ethylpropanamide IUPAC Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N-ethylpropanamide Traditional Name: (2S)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-N-ethyl-propionamide Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O5S/c1-3-18-17(21)13(2)19-6-8-20(9-7-19)26(22,23)14-4-5-15-16(12-14)25-11-10-24-15/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,21)/t13-/m0/s1