N-[(2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C22H19ClN2O2S3 MolecularWeight: 475.04646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CC=C2)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C22H19ClN2O2S3/c1-15-7-10-18(11-8-15)30(26,27)24-14-21(16-5-3-2-4-6-16)29-22-25-19-13-17(23)9-12-20(19)28-22/h2-13,21,24H,14H2,1H3/t21-/m0/s1