6-chloranyl-N-(3,3-dimethyl-2-oxidanylidene-butyl)-N-[1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)-1-oxidanidyl-pyrrolidin-1-ium-3-yl]naphthalene-2-sulfonamide

Systemtic Name: 6-chloranyl-N-(3,3-dimethyl-2-oxidanylidene-butyl)-N-[1-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)-1-oxidanidyl-pyrrolidin-1-ium-3-yl]naphthalene-2-sulfonamide Openeye Name: 6-chloro-N-(3,3-dimethyl-2-oxo-butyl)-N-[1-(1-methyl-2-morpholino-2-oxo-ethyl)-1-oxido-pyrrolidin-1-ium-3-yl]naphthalene-2-sulfonamide CAS Name: 6-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-[1-[1-(4-morpholinyl)-1-oxopropan-2-yl]-1-oxido-3-pyrrolidin-1-iumyl]-2-naphthalenesulfonamide IUPAC Name: 6-chloro-N-(3,3-dimethyl-2-oxobutyl)-N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-oxidopyrrolidin-1-ium-3-yl]naphthalene-2-sulfonamide Traditional Name: 6-chloro-N-(2-keto-3,3-dimethyl-butyl)-N-[1-(2-keto-1-methyl-2-morpholino-ethyl)-1-oxido-pyrrolidin-1-ium-3-yl]naphthalene-2-sulfonamide Formula: C27H36ClN3O6S MolecularWeight: 566.10924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)[N+]2(CCC(C2)N(CC(=O)C(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)[O-]

Isomeric SMILES

CC(C(=O)N1CCOCC1)[N+]2(CCC(C2)N(CC(=O)C(C)(C)C)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C27H36ClN3O6S/c1-19(26(33)29-10-13-37-14-11-29)31(34)12-9-23(18-31)30(17-25(32)27(2,3)4)38(35,36)24-8-6-20-15-22(28)7-5-21(20)16-24/h5-8,15-16,19,23H,9-14,17-18H2,1-4H3