4-(4-nitrophenyl)sulfonyl-1-pent-4-enoyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(4-nitrophenyl)sulfonyl-1-pent-4-enoyl-piperazine-2-carboxylic acid Openeye Name: 4-(4-nitrophenyl)sulfonyl-1-pent-4-enoyl-piperazine-2-carboxylic acid CAS Name: 4-(4-nitrophenyl)sulfonyl-1-(1-oxopent-4-enyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(4-nitrophenyl)sulfonyl-1-pent-4-enoylpiperazine-2-carboxylic acid Traditional Name: 4-nosyl-1-pent-4-enoyl-piperazine-2-carboxylic acid Formula: C16H19N3O7S MolecularWeight: 397.40296

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCN(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCCC(=O)N1CCN(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O7S/c1-2-3-4-15(20)18-10-9-17(11-14(18)16(21)22)27(25,26)13-7-5-12(6-8-13)19(23)24/h2,5-8,14H,1,3-4,9-11H2,(H,21,22)