(2-nitro-4-piperidin-1-ylsulfonyl-phenyl) N,N-diethylcarbamodithioate

Systemtic Name: (2-nitro-4-piperidin-1-ylsulfonyl-phenyl) N,N-diethylcarbamodithioate Openeye Name: [2-nitro-4-(1-piperidylsulfonyl)phenyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-nitro-4-(1-piperidinylsulfonyl)phenyl] ester IUPAC Name: (2-nitro-4-piperidin-1-ylsulfonylphenyl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (2-nitro-4-piperidinosulfonyl-phenyl) ester Formula: C16H23N3O4S3 MolecularWeight: 417.56652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O4S3/c1-3-17(4-2)16(24)25-15-9-8-13(12-14(15)19(20)21)26(22,23)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3