(4-chloranyl-2-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-chloro-2-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (4-chloro-2-methyl-phenyl) ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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