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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C22H25ClFN3O3S2 MolecularWeight: 498.033603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O3S2/c1-15-13-16(23)14-19-21(15)25-22(31-19)27(11-10-26(2)3)20(28)5-4-12-32(29,30)18-8-6-17(24)7-9-18/h6-9,13-14H,4-5,10-12H2,1-3H3