N-ethyl-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-ethyl-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N5O4S3 MolecularWeight: 443.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4S3/c1-3-17-15-18-19-16(27-15)26-14-7-6-12(9-13(14)21(22)23)28(24,25)20-8-4-5-11(2)10-20/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,18)/t11-/m0/s1