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

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonyl-butanamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(p-tolylsulfonyl)butanamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(4-methylphenyl)sulfonylbutanamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-tosyl-butyramide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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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=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O3S2/c1-17-8-14-20(15-9-17)31(28,29)16-4-7-23(27)25-19-12-10-18(11-13-19)24-26-21-5-2-3-6-22(21)30-24/h2-3,5-6,8-15H,4,7,16H2,1H3,(H,25,27)