2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[4-(4-methylpiperazino)sulfonylphenyl]carbamoyl]-6-nitro-benzoic acid Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H20N4O7S/c1-21-9-11-22(12-10-21)31(29,30)14-7-5-13(6-8-14)20-18(24)15-3-2-4-16(23(27)28)17(15)19(25)26/h2-8H,9-12H2,1H3,(H,20,24)(H,25,26)