(4-chloranyl-3-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C17H18ClNO5S2 MolecularWeight: 415.91152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClNO5S2/c1-13-12-14(4-9-17(13)18)24-26(22,23)16-7-5-15(6-8-16)25(20,21)19-10-2-3-11-19/h4-9,12H,2-3,10-11H2,1H3