ethyl 3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-methylpiperazino)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C19H27N5O7S MolecularWeight: 469.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O7S/c1-3-31-19(26)16-12-15(13-17(14-16)24(27)28)18(25)21-6-10-23(11-7-21)32(29,30)22-8-4-20(2)5-9-22/h12-14H,3-11H2,1-2H3