sodium 2-[[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: sodium 2-[[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: sodium 2-[[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: sodium 2-[[[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoate IUPAC Name: sodium 2-[[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]carbamoyl]-5-nitrobenzoate Traditional Name: sodium 2-[[2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl]carbamoyl]-5-nitro-benzoate Formula: C22H23N4NaO8S MolecularWeight: 526.49479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])S(=O)(=O)N3CCCCC3.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)[O-])S(=O)(=O)N3CCCCC3.[Na+]

InChI

InChI=1S/C22H24N4O8S.Na/c1-14-5-6-15(11-19(14)35(33,34)25-9-3-2-4-10-25)24-20(27)13-23-21(28)17-8-7-16(26(31)32)12-18(17)22(29)30;/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,28)(H,24,27)(H,29,30);/q;+1/p-1