(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-(4-methoxyphenyl)sulfonyl-oxidanyl-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]azanium

Systemtic Name: (1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-(4-methoxyphenyl)sulfonyl-oxidanyl-[3-oxidanylidene-3-(pyridin-3-ylmethylamino)propyl]azanium Openeye Name: (1-carbamoyl-2-methyl-propyl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-oxo-3-(3-pyridylmethylamino)propyl]ammonium CAS Name: (1-amino-3-methyl-1-oxobutan-2-yl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-oxo-3-(3-pyridinylmethylamino)propyl]ammonium IUPAC Name: (1-amino-3-methyl-1-oxobutan-2-yl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]azanium Traditional Name: (1-carbamoyl-2-methyl-propyl)-hydroxy-[3-keto-3-(3-pyridylmethylamino)propyl]-(4-methoxyphenyl)sulfonyl-ammonium Formula: C21H29N4O6S+ MolecularWeight: 465.54316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)[N+](CCC(=O)NCC1=CN=CC=C1)(O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)N)[N+](CCC(=O)NCC1=CN=CC=C1)(O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28N4O6S/c1-15(2)20(21(22)27)25(28,32(29,30)18-8-6-17(31-3)7-9-18)12-10-19(26)24-14-16-5-4-11-23-13-16/h4-9,11,13,15,20,28H,10,12,14H2,1-3H3,(H2-,22,24,26,27)/p+1