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

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C25H22ClFN2O3S2 MolecularWeight: 517.035183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C25H22ClFN2O3S2/c1-17-21(26)13-14-22-24(17)28-25(33-22)29(16-18-6-3-2-4-7-18)23(30)8-5-15-34(31,32)20-11-9-19(27)10-12-20/h2-4,6-7,9-14H,5,8,15-16H2,1H3