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

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide CAS Name: 4-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Traditional Name: 4-besyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butyramide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCS(=O)(=O)C4=CC=CC=C4

InChI

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