4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pentan-3-yl-piperazine-1-carboxamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pentan-3-yl-piperazine-1-carboxamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1-ethylpropyl)piperazine-1-carboxamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pentan-3-yl-1-piperazinecarboxamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-pentan-3-ylpiperazine-1-carboxamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(1-ethylpropyl)piperazine-1-carboxamide Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(CC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H27N3O5S/c1-3-14(4-2)19-18(22)20-7-9-21(10-8-20)27(23,24)15-5-6-16-17(13-15)26-12-11-25-16/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,19,22)