ethanedioic acid; 1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine

Systemtic Name: ethanedioic acid; 1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine Openeye Name: 1-(2-naphthylsulfonyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(2-naphthylsulfonyl)-4-(3-nitrobenzyl)piperazine; oxalic acid Formula: C23H23N3O8S MolecularWeight: 501.50902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21N3O4S.C2H2O4/c25-24(26)20-7-3-4-17(14-20)16-22-10-12-23(13-11-22)29(27,28)21-9-8-18-5-1-2-6-19(18)15-21;3-1(4)2(5)6/h1-9,14-15H,10-13,16H2;(H,3,4)(H,5,6)