(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-2-oxidanyl-2-phenyl-ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[(2S)-2-hydroxy-2-phenylethyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(2S)-2-hydroxy-2-phenyl-ethyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC(C4=CC=CC=C4)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NC[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C20H22N4O4S2/c25-17(14-6-2-1-3-7-14)12-21-20(26)15-8-5-11-24(13-15)30(27,28)18-10-4-9-16-19(18)23-29-22-16/h1-4,6-7,9-10,15,17,25H,5,8,11-13H2,(H,21,26)/t15-,17+/m0/s1