[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl] N,N-dimethylcarbamodithioate

Systemtic Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl] N,N-dimethylcarbamodithioate Openeye Name: [4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl] ester IUPAC Name: [4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl] ester Formula: C15H21N3O4S3 MolecularWeight: 403.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC(=S)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC(=S)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O4S3/c1-11-5-4-8-17(10-11)25(21,22)12-6-7-14(13(9-12)18(19)20)24-15(23)16(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3/t11-/m0/s1