3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-N-(1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NN=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NN=CS4

InChI

InChI=1S/C20H21N5O3S2/c26-19(22-20-23-21-15-29-20)17-7-4-8-18(13-17)30(27,28)25-11-9-24(10-12-25)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,22,23,26)