2-chloranyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[1-[4-(methylthio)phenyl]ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[1-[4-(methylthio)phenyl]ethyl]-5-piperidinosulfonyl-benzamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-15(16-6-8-17(28-2)9-7-16)23-21(25)19-14-18(10-11-20(19)22)29(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)