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

Systemtic Name: 5-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: N-isopropyl-5-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: isopropyl-[5-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H21N5O4S3 MolecularWeight: 443.56404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

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