1-[[5-(1-azanylpropyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(1-azanylpropyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(1-aminopropyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(1-aminopropyl)-4-benzyl-1,2,4-triazol-3-yl]sulfonyl]-3,3-dimethyl-butan-2-one Formula: C18H26N4O3S MolecularWeight: 378.48904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC(=O)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC(=O)C(C)(C)C)N

InChI

InChI=1S/C18H26N4O3S/c1-5-14(19)16-20-21-17(22(16)11-13-9-7-6-8-10-13)26(24,25)12-15(23)18(2,3)4/h6-10,14H,5,11-12,19H2,1-4H3