(4-chloranyl-3-ethyl-phenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-3-ethyl-phenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-3-ethyl-phenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-chloro-3-ethylphenyl) ester IUPAC Name: (4-chloro-3-ethylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-chloro-3-ethyl-phenyl) ester Formula: C18H20ClNO4S2 MolecularWeight: 413.9387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl

Isomeric SMILES

CCC1=C(C=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)Cl

InChI

InChI=1S/C18H20ClNO4S2/c1-2-13-12-15(5-6-16(13)19)24-18(21)14-7-9-20(10-8-14)26(22,23)17-4-3-11-25-17/h3-6,11-12,14H,2,7-10H2,1H3