(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-[3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(3-piperidinosulfonylphenyl)propionamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S2/c1-15(29-21-23-18-10-3-4-11-19(18)28-21)20(25)22-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,22,25)/t15-/m1/s1