3-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)azanidylsulfonylthiophene-2-carboxylate

Systemtic Name: 3-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)azanidylsulfonylthiophene-2-carboxylate Openeye Name: 3-[4-chloro-3-(1-piperidylsulfonyl)phenyl]azanidylsulfonylthiophene-2-carboxylate CAS Name: 3-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]azanidylsulfonyl-2-thiophenecarboxylate IUPAC Name: 3-(4-chloro-3-piperidin-1-ylsulfonylphenyl)azanidylsulfonylthiophene-2-carboxylate Traditional Name: 3-(4-chloro-3-piperidinosulfonyl-phenyl)azanidylsulfonyl-2-thenoate Formula: C16H15ClN2O6S3-2 MolecularWeight: 462.9481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N-]S(=O)(=O)C3=C(SC=C3)C(=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)[N-]S(=O)(=O)C3=C(SC=C3)C(=O)[O-])Cl

InChI

InChI=1S/C16H16ClN2O6S3/c17-12-5-4-11(10-14(12)28(24,25)19-7-2-1-3-8-19)18-27(22,23)13-6-9-26-15(13)16(20)21/h4-6,9-10H,1-3,7-8H2,(H,20,21)/q-1/p-1