thiophen-2-ylmethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: thiophen-2-ylmethyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-thienylmethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid 2-thenyl ester Formula: C16H16ClNO4S2 MolecularWeight: 385.88554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CS3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CS3)Cl

InChI

InChI=1S/C16H16ClNO4S2/c17-14-6-5-12(16(19)22-11-13-4-3-9-23-13)10-15(14)24(20,21)18-7-1-2-8-18/h3-6,9-10H,1-2,7-8,11H2