(4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetate CAS Name: 2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]acetic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-pyrrolidinosulfonyl-2-thienyl)acetic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C17H17BrClNO4S2 MolecularWeight: 478.80818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3)Cl)Br

InChI

InChI=1S/C17H17BrClNO4S2/c1-11-8-12(18)9-14(19)17(11)24-15(21)10-13-4-5-16(25-13)26(22,23)20-6-2-3-7-20/h4-5,8-9H,2-3,6-7,10H2,1H3