N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 3-morpholinosulfonyl-N-[5-(m-tolylmethyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[5-(3-methylbenzyl)-1,3,4-thiadiazol-2-yl]-3-morpholinosulfonyl-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22N4O4S2/c1-15-4-2-5-16(12-15)13-19-23-24-21(30-19)22-20(26)17-6-3-7-18(14-17)31(27,28)25-8-10-29-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,22,24,26)