N-butyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H23N5O4S3 MolecularWeight: 457.59062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4S3/c1-2-3-9-18-16-19-20-17(28-16)27-15-8-7-13(12-14(15)22(23)24)29(25,26)21-10-5-4-6-11-21/h7-8,12H,2-6,9-11H2,1H3,(H,18,19)