N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-[(2-amino-2-oxoethyl)thio]-1,3,4-thiadiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-[(2-amino-2-keto-ethyl)thio]-1,3,4-thiadiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C16H19N5O4S3 MolecularWeight: 441.54816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC(=O)N

InChI

InChI=1S/C16H19N5O4S3/c17-13(22)10-26-16-20-19-15(27-16)18-14(23)11-5-4-6-12(9-11)28(24,25)21-7-2-1-3-8-21/h4-6,9H,1-3,7-8,10H2,(H2,17,22)(H,18,19,23)