N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C25H32FN3O3S2 MolecularWeight: 505.668283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O3S2/c1-4-19-9-14-22-23(18-19)33-25(27-22)29(16-15-28(5-2)6-3)24(30)8-7-17-34(31,32)21-12-10-20(26)11-13-21/h9-14,18H,4-8,15-17H2,1-3H3