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

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-(2-diethylaminoethyl)-N-(4-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=C2C(=CC=C1)SC(=N2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCN(CC)CC)C(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H32FN3O3S2/c1-4-19-9-7-10-22-24(19)27-25(33-22)29(17-16-28(5-2)6-3)23(30)11-8-18-34(31,32)21-14-12-20(26)13-15-21/h7,9-10,12-15H,4-6,8,11,16-18H2,1-3H3