2-ethylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]benzamide CAS Name: 2-(ethylthio)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzamide Traditional Name: 2-(ethylthio)-N-(4-piperidinosulfonylbenzyl)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-2-27-20-9-5-4-8-19(20)21(24)22-16-17-10-12-18(13-11-17)28(25,26)23-14-6-3-7-15-23/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H,22,24)