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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S2/c22-17-10-9-16(14-18(17)31(28,29)26-11-5-2-6-12-26)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)