N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-(2-dimethylaminoethyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C22H26FN3O3S2 MolecularWeight: 463.588543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CCN(C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCN(C)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O3S2/c1-15-13-16(2)21-19(14-15)30-22(24-21)26(11-10-25(3)4)20(27)9-12-31(28,29)18-7-5-17(23)6-8-18/h5-8,13-14H,9-12H2,1-4H3