N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butyramide Formula: C19H20FN3O3S2 MolecularWeight: 421.508803

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N(C)C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N(C)C1=NC2=CC=CC=C2S1)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FN3O3S2/c1-22(28(25,26)15-11-9-14(20)10-12-15)13-5-8-18(24)23(2)19-21-16-6-3-4-7-17(16)27-19/h3-4,6-7,9-12H,5,8,13H2,1-2H3