4-tert-butyl-N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-4-pyrrolidin-1-ylsulfonyl-phenyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[2-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-4-pyrrolidin-1-ylsulfonyl-phenyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-4-pyrrolidin-1-ylsulfonyl-phenyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-4-(1-pyrrolidinylsulfonyl)phenyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-4-pyrrolidin-1-ylsulfonylphenyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-(1-oxidopyridin-1-ium-4-carbonyl)-4-pyrrolidinosulfonyl-phenyl]benzenesulfonamide Formula: C26H29N3O6S2 MolecularWeight: 543.65496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C26H29N3O6S2/c1-26(2,3)20-6-8-21(9-7-20)36(32,33)27-24-11-10-22(37(34,35)29-14-4-5-15-29)18-23(24)25(30)19-12-16-28(31)17-13-19/h6-13,16-18,27H,4-5,14-15H2,1-3H3