N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-diethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C23H28FN3O5S3 MolecularWeight: 541.678923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O5S3/c1-4-26(5-2)13-14-27(22(28)12-15-35(31,32)18-8-6-17(24)7-9-18)23-25-20-11-10-19(34(3,29)30)16-21(20)33-23/h6-11,16H,4-5,12-15H2,1-3H3