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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)CCN

Isomeric SMILES

CC(C)(C)C(=O)CS(=O)(=O)C1=NN=C(N1CCC2=CC=CC=C2)CCN

InChI

InChI=1S/C18H26N4O3S/c1-18(2,3)15(23)13-26(24,25)17-21-20-16(9-11-19)22(17)12-10-14-7-5-4-6-8-14/h4-8H,9-13,19H2,1-3H3