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

Systemtic Name: 2-chloranyl-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-5-piperidinosulfonyl-benzamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4O3S2/c22-18-10-9-16(31(28,29)26-11-5-2-6-12-26)14-17(18)20(27)23-21-25-24-19(30-21)13-15-7-3-1-4-8-15/h1,3-4,7-10,14H,2,5-6,11-13H2,(H,23,25,27)