2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-(2-phenylsulfanylethyl)-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methyl-N-[2-(phenylthio)ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-(phenylthio)ethyl]-5-piperidinosulfonyl-benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-17-10-11-19(28(25,26)23-13-6-3-7-14-23)16-20(17)21(24)22-12-15-27-18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,22,24)