N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonyl-butanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(p-tolylsulfonyl)butanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-tosyl-butyramide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C25H24N2O3S2/c1-17-5-12-21(13-6-17)32(29,30)15-3-4-24(28)26-20-10-8-19(9-11-20)25-27-22-14-7-18(2)16-23(22)31-25/h5-14,16H,3-4,15H2,1-2H3,(H,26,28)