(2-sulfamoyl-1,3-benzothiazol-6-yl) 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-[4-phenyl-2,6-di(propan-2-yl)-1-pyridin-1-iumyl]acetic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-sulfamoyl-1,3-benzothiazol-6-yl) 2-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-(2,6-diisopropyl-4-phenyl-pyridin-1-ium-1-yl)acetic acid (2-sulfamoyl-1,3-benzothiazol-6-yl) ester Formula: C26H28N3O4S2+ MolecularWeight: 510.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC(=CC(=[N+]1CC(=O)OC2=CC3=C(C=C2)N=C(S3)S(=O)(=O)N)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H28N3O4S2/c1-16(2)22-12-19(18-8-6-5-7-9-18)13-23(17(3)4)29(22)15-25(30)33-20-10-11-21-24(14-20)34-26(28-21)35(27,31)32/h5-14,16-17H,15H2,1-4H3,(H2,27,31,32)/q+1