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

Systemtic Name: 2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-methoxy-N-[2-(m-tolylmethylsulfanyl)ethyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-methoxy-N-[2-[(3-methylphenyl)methylthio]ethyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-methoxy-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-methoxy-N-[2-[(3-methylbenzyl)thio]ethyl]-5-piperidinosulfonyl-benzamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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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)OC

Isomeric SMILES

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

InChI

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