ethanedioic acid; 1-(4-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazine

Systemtic Name: ethanedioic acid; 1-(4-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazine Openeye Name: 1-(4-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazine; oxalic acid CAS Name: 1-(4-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazine; oxalic acid IUPAC Name: 1-(4-nitrophenyl)sulfonyl-4-(3-phenylpropyl)piperazine; oxalic acid Traditional Name: 1-nosyl-4-(3-phenylpropyl)piperazine; oxalic acid Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O4S.C2H2O4/c23-22(24)18-8-10-19(11-9-18)27(25,26)21-15-13-20(14-16-21)12-4-7-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-3,5-6,8-11H,4,7,12-16H2;(H,3,4)(H,5,6)