N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-benzyl-N-(6-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=CC(=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

CC1=CC(=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/c1-17-14-19(26)15-22-24(17)28-25(33-22)29(16-18-6-3-2-4-7-18)23(30)8-5-13-34(31,32)21-11-9-20(27)10-12-21/h2-4,6-7,9-12,14-15H,5,8,13,16H2,1H3