(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-ylthio)-N-(2-chloro-5-piperidinosulfonyl-phenyl)propionamide Formula: C21H22ClN3O3S3 MolecularWeight: 496.06568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S3/c1-14(29-21-24-17-7-3-4-8-19(17)30-21)20(26)23-18-13-15(9-10-16(18)22)31(27,28)25-11-5-2-6-12-25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,26)/t14-/m1/s1