N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(2-dimethylaminoethyl)-3-(4-fluorophenyl)sulfonyl-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C20H21FN4O5S2 MolecularWeight: 480.532943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O5S2/c1-23(2)10-11-24(20-22-17-8-5-15(25(27)28)13-18(17)31-20)19(26)9-12-32(29,30)16-6-3-14(21)4-7-16/h3-8,13H,9-12H2,1-2H3