N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C26H25FN2O3S2 MolecularWeight: 496.616703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H25FN2O3S2/c1-18-10-15-23-25(19(18)2)28-26(33-23)29(17-20-7-4-3-5-8-20)24(30)9-6-16-34(31,32)22-13-11-21(27)12-14-22/h3-5,7-8,10-15H,6,9,16-17H2,1-2H3