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

Systemtic Name: (1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)-(4-methoxyphenyl)sulfonyl-[3-(4-methylpiperazin-2-yl)-3-oxidanylidene-propyl]-oxidanyl-azanium Openeye Name: (1-carbamoyl-2-methyl-propyl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-(4-methylpiperazin-2-yl)-3-oxo-propyl]ammonium CAS Name: (1-amino-3-methyl-1-oxobutan-2-yl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-(4-methyl-2-piperazinyl)-3-oxopropyl]ammonium IUPAC Name: (1-amino-3-methyl-1-oxobutan-2-yl)-hydroxy-(4-methoxyphenyl)sulfonyl-[3-(4-methylpiperazin-2-yl)-3-oxopropyl]azanium Traditional Name: (1-carbamoyl-2-methyl-propyl)-hydroxy-[3-keto-3-(4-methylpiperazin-2-yl)propyl]-(4-methoxyphenyl)sulfonyl-ammonium Formula: C20H33N4O6S+ MolecularWeight: 457.56422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)[N+](CCC(=O)C1CN(CCN1)C)(O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(C(=O)N)[N+](CCC(=O)C1CN(CCN1)C)(O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H32N4O6S/c1-14(2)19(20(21)26)24(27,12-9-18(25)17-13-23(3)11-10-22-17)31(28,29)16-7-5-15(30-4)6-8-16/h5-8,14,17,19,22,27H,9-13H2,1-4H3,(H-,21,26)/p+1