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

Systemtic Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(o-tolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinosulfonyl-benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O3S2/c1-15-7-3-4-8-18(15)20-23-24-21(29-20)22-19(26)16-9-11-17(12-10-16)30(27,28)25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,22,24,26)