N-[(4-fluorophenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Openeye Name: N-[(4-fluorophenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide CAS Name: N-[(4-fluorophenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N'-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanediamide Traditional Name: N-(4-fluorobenzyl)-N'-(6-mesyl-1,3-benzothiazol-2-yl)succinamide Formula: C19H18FN3O4S2 MolecularWeight: 435.492323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H18FN3O4S2/c1-29(26,27)14-6-7-15-16(10-14)28-19(22-15)23-18(25)9-8-17(24)21-11-12-2-4-13(20)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23,25)