N-[[(3Z)-3-[(5S)-5-tert-butyl-1-[(4-fluorophenyl)methyl]-2,4-bis(oxidanylidene)pyrrolidin-3-ylidene]-1,1-bis(oxidanylidene)-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide

Systemtic Name: N-[[(3Z)-3-[(5S)-5-tert-butyl-1-[(4-fluorophenyl)methyl]-2,4-bis(oxidanylidene)pyrrolidin-3-ylidene]-1,1-bis(oxidanylidene)-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide Openeye Name: N-[[(3Z)-3-[(5S)-5-tert-butyl-1-[(4-fluorophenyl)methyl]-2,4-dioxo-pyrrolidin-3-ylidene]-1,1-dioxo-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide CAS Name: N-[[(3Z)-3-[(5S)-5-tert-butyl-1-[(4-fluorophenyl)methyl]-2,4-dioxo-3-pyrrolidinylidene]-1,1-dioxo-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide IUPAC Name: N-[[(3Z)-3-[(5S)-5-tert-butyl-1-[(4-fluorophenyl)methyl]-2,4-dioxopyrrolidin-3-ylidene]-1,1-dioxo-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide Traditional Name: N-[[(3Z)-3-[(5S)-5-tert-butyl-1-(4-fluorobenzyl)-2,4-diketo-pyrrolidin-3-ylidene]-1,1-diketo-1,2-benzothiazol-7-yl]methyl]ethanesulfonamide Formula: C25H28FN3O6S2 MolecularWeight: 549.634723

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC1=CC=CC2=C1S(=O)(=O)NC2=C3C(=O)C(N(C3=O)CC4=CC=C(C=C4)F)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)NCC1=CC=CC\2=C1S(=O)(=O)N/C2=C\3/C(=O)[C@@H](N(C3=O)CC4=CC=C(C=C4)F)C(C)(C)C

InChI

InChI=1S/C25H28FN3O6S2/c1-5-36(32,33)27-13-16-7-6-8-18-20(28-37(34,35)22(16)18)19-21(30)23(25(2,3)4)29(24(19)31)14-15-9-11-17(26)12-10-15/h6-12,23,27-28H,5,13-14H2,1-4H3/b20-19-/t23-/m1/s1