3-methylsulfonyl-N-[2-methyl-4-[3-(1,2,3-triazol-1-yl)propanoylamino]phenyl]benzamide

Systemtic Name: 3-methylsulfonyl-N-[2-methyl-4-[3-(1,2,3-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 3-methylsulfonyl-N-[2-methyl-4-[3-(triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: N-[2-methyl-4-[[1-oxo-3-(1-triazolyl)propyl]amino]phenyl]-3-methylsulfonylbenzamide IUPAC Name: 3-methylsulfonyl-N-[2-methyl-4-[3-(triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 3-mesyl-N-[2-methyl-4-[3-(triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2C=CN=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2C=CN=N2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N5O4S/c1-14-12-16(22-19(26)8-10-25-11-9-21-24-25)6-7-18(14)23-20(27)15-4-3-5-17(13-15)30(2,28)29/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,26)(H,23,27)