(4-nitrophenyl)methyl 4-(2-sulfanylethyl)piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(2-sulfanylethyl)piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(2-sulfanylethyl)piperazine-1-carboxylate CAS Name: 4-(2-mercaptoethyl)-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(2-sulfanylethyl)piperazine-1-carboxylate Traditional Name: 4-(2-mercaptoethyl)piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCS)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4S/c18-14(16-7-5-15(6-8-16)9-10-22)21-11-12-1-3-13(4-2-12)17(19)20/h1-4,22H,5-11H2