N-[2-(phenylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-(phenylmethylthio)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-piperidinosulfonyl-benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(22-12-15-27-17-18-8-3-1-4-9-18)19-10-7-11-20(16-19)28(25,26)23-13-5-2-6-14-23/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24)