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

Systemtic Name: N-tert-butyl-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-tert-butyl-5-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-tert-butyl-5-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-tert-butyl-5-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: tert-butyl-[5-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H25N5O4S3 MolecularWeight: 471.6172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NN=C(S3)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S3/c1-12-6-5-9-22(11-12)30(26,27)13-7-8-15(14(10-13)23(24)25)28-17-21-20-16(29-17)19-18(2,3)4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,20)/t12-/m0/s1