1-[5-[(4-nitrophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-[(4-nitrophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-[(4-nitrophenyl)methylsulfonyl]-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-nitrophenyl)methylsulfonyl]-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(4-nitrophenyl)methylsulfonyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-(4-nitrobenzyl)sulfonyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]propylamine Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C17H23N5O5S/c1-2-15(18)16-19-20-17(21(16)10-14-4-3-9-27-14)28(25,26)11-12-5-7-13(8-6-12)22(23)24/h5-8,14-15H,2-4,9-11,18H2,1H3