N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C18H17FN2O3S2 MolecularWeight: 392.467583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C18H17FN2O3S2/c1-11-9-12(2)17-15(10-11)20-18(25-17)21-16(22)7-8-26(23,24)14-5-3-13(19)4-6-14/h3-6,9-10H,7-8H2,1-2H3,(H,20,21,22)