(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S3/c1-15(28-21-23-18-7-3-4-8-19(18)29-21)20(25)22-16-9-11-17(12-10-16)30(26,27)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,22,25)/t15-/m1/s1