2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[2-(m-tolylmethylsulfanyl)ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[2-[(3-methylbenzyl)thio]ethyl]-5-piperidinosulfonyl-benzamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C22H27ClN2O3S2/c1-17-6-5-7-18(14-17)16-29-13-10-24-22(26)20-15-19(8-9-21(20)23)30(27,28)25-11-3-2-4-12-25/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,24,26)