1-[4-(oxolan-2-ylmethyl)-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[4-(oxolan-2-ylmethyl)-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-benzylsulfonyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-(2-oxolanylmethyl)-5-(phenylmethyl)sulfonyl-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-benzylsulfonyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-benzylsulfonyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]butylamine Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=CC=C3)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2CCCO2)S(=O)(=O)CC3=CC=CC=C3)N

InChI

InChI=1S/C18H26N4O3S/c1-2-7-16(19)17-20-21-18(22(17)12-15-10-6-11-25-15)26(23,24)13-14-8-4-3-5-9-14/h3-5,8-9,15-16H,2,6-7,10-13,19H2,1H3