N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylsulfonylmethyl)benzamide

Systemtic Name: N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-(phenylsulfonylmethyl)benzamide Openeye Name: 3-(benzenesulfonylmethyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-(benzenesulfonylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(benzenesulfonylmethyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(besylmethyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S2/c1-3-16(4-2)20-23-24-21(28-20)22-19(25)17-10-8-9-15(13-17)14-29(26,27)18-11-6-5-7-12-18/h5-13,16H,3-4,14H2,1-2H3,(H,22,24,25)