N-methylsulfonyl-4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]-2-propylsulfanyl-benzamide

Systemtic Name: N-methylsulfonyl-4-[4-[2-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]ethyl]phenyl]-2-propylsulfanyl-benzamide Openeye Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propylsulfanyl-benzamide CAS Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-(propylthio)benzamide IUPAC Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propylsulfanylbenzamide Traditional Name: 4-[4-[2-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]ethyl]phenyl]-N-mesyl-2-(propylthio)benzamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNCC(C3=CC=CC=C3)O)C(=O)NS(=O)(=O)C

Isomeric SMILES

CCCSC1=C(C=CC(=C1)C2=CC=C(C=C2)CCNC[C@@H](C3=CC=CC=C3)O)C(=O)NS(=O)(=O)C

InChI

InChI=1S/C27H32N2O4S2/c1-3-17-34-26-18-23(13-14-24(26)27(31)29-35(2,32)33)21-11-9-20(10-12-21)15-16-28-19-25(30)22-7-5-4-6-8-22/h4-14,18,25,28,30H,3,15-17,19H2,1-2H3,(H,29,31)/t25-/m0/s1