N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-phenylsulfanyl-propanamide Openeye Name: N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(phenylthio)propanamide IUPAC Name: N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-phenylsulfanylpropanamide Traditional Name: N-(2-methyl-5-piperidinosulfonyl-phenyl)-3-(phenylthio)propionamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-17-10-11-19(28(25,26)23-13-6-3-7-14-23)16-20(17)22-21(24)12-15-27-18-8-4-2-5-9-18/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3,(H,22,24)