N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(5-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-dimethylaminoethyl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(5-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=C(C=CC2=C1N=C(S2)N(CCN(C)C)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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