5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[3-(1-azepanylsulfonyl)-4-methylanilino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]carbamoyl]-2-nitro-phenolate Formula: C20H22N3O6S- MolecularWeight: 432.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])[O-])S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O6S/c1-14-6-8-16(13-19(14)30(28,29)22-10-4-2-3-5-11-22)21-20(25)15-7-9-17(23(26)27)18(24)12-15/h6-9,12-13,24H,2-5,10-11H2,1H3,(H,21,25)/p-1