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

Systemtic Name: [3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonyl-piperazin-1-yl]-phenyl-methanone CAS Name: [3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonyl-1-piperazinyl]-phenylmethanone IUPAC Name: [3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonylpiperazin-1-yl]-phenylmethanone Traditional Name: [3-methyl-4-[4-(1,2,4-triazol-1-yl)phenyl]sulfonyl-piperazino]-phenyl-methanone Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)N3C=NC=N3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3S/c1-16-13-23(20(26)17-5-3-2-4-6-17)11-12-25(16)29(27,28)19-9-7-18(8-10-19)24-15-21-14-22-24/h2-10,14-16H,11-13H2,1H3