2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methoxy-5-(1-piperidylsulfonyl)-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: 2-methoxy-N-[2-[(4-methylphenyl)methylthio]ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methoxy-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-N-[2-[(4-methylbenzyl)thio]ethyl]-5-piperidinosulfonyl-benzamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S2/c1-18-6-8-19(9-7-18)17-30-15-12-24-23(26)21-16-20(10-11-22(21)29-2)31(27,28)25-13-4-3-5-14-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26)