ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H25N4O7S+ MolecularWeight: 477.5108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-3-32-21(27)16-12-15(13-18(14-16)25(28)29)20(26)22-17-4-6-19(7-5-17)33(30,31)24-10-8-23(2)9-11-24/h4-7,12-14H,3,8-11H2,1-2H3,(H,22,26)/p+1