N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)propanamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-tosyl-propionamide Formula: C25H23ClN2O3S2 MolecularWeight: 499.04472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

InChI=1S/C25H23ClN2O3S2/c1-17-8-10-20(11-9-17)33(30,31)15-14-23(29)28(16-19-6-4-3-5-7-19)25-27-24-18(2)21(26)12-13-22(24)32-25/h3-13H,14-16H2,1-2H3