ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone

Systemtic Name: ethanedioic acid; (4-methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]methanone; oxalic acid CAS Name: (4-methyl-1-piperazinyl)-[1-(2-nitrophenyl)sulfonyl-3-piperidinyl]methanone; oxalic acid IUPAC Name: (4-methylpiperazin-1-yl)-[1-(2-nitrophenyl)sulfonylpiperidin-3-yl]methanone; oxalic acid Traditional Name: (4-methylpiperazino)-[1-(2-nitrophenyl)sulfonyl-3-piperidyl]methanone; oxalic acid Formula: C19H26N4O9S MolecularWeight: 486.49614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N4O5S.C2H2O4/c1-18-9-11-19(12-10-18)17(22)14-5-4-8-20(13-14)27(25,26)16-7-3-2-6-15(16)21(23)24;3-1(4)2(5)6/h2-3,6-7,14H,4-5,8-13H2,1H3;(H,3,4)(H,5,6)