(2-chloranyl-5-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-chloro-5-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H18ClNO4S/c1-13-7-8-16(19)17(11-13)24-18(21)14-5-4-6-15(12-14)25(22,23)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3