[(3R)-3-methyl-4-[5-(2H-1,2,3-triazol-4-yl)thiophen-2-yl]sulfonyl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [(3R)-3-methyl-4-[5-(2H-1,2,3-triazol-4-yl)thiophen-2-yl]sulfonyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [(3R)-3-methyl-4-[[5-(2H-triazol-4-yl)-2-thienyl]sulfonyl]piperazin-1-yl]-phenyl-methanone CAS Name: [(3R)-3-methyl-4-[[5-(2H-triazol-4-yl)-2-thiophenyl]sulfonyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [(3R)-3-methyl-4-[5-(2H-triazol-4-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-phenylmethanone Traditional Name: [(3R)-3-methyl-4-[[5-(2H-triazol-4-yl)-2-thienyl]sulfonyl]piperazino]-phenyl-methanone Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(S2)C3=NNN=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=C(S2)C3=NNN=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3S2/c1-13-12-22(18(24)14-5-3-2-4-6-14)9-10-23(13)28(25,26)17-8-7-16(27-17)15-11-19-21-20-15/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21)/t13-/m1/s1