[(1S)-2,3-dihydro-1H-inden-1-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1S)-2,3-dihydro-1H-inden-1-yl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-indan-1-yl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(1S)-2,3-dihydro-1H-inden-1-yl] ester IUPAC Name: [(1S)-2,3-dihydro-1H-inden-1-yl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-indan-1-yl] ester Formula: C20H20ClNO4S MolecularWeight: 405.8951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCC4=CC=CC=C34)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@H]3CCC4=CC=CC=C34)Cl

InChI

InChI=1S/C20H20ClNO4S/c21-17-9-7-15(13-19(17)27(24,25)22-11-3-4-12-22)20(23)26-18-10-8-14-5-1-2-6-16(14)18/h1-2,5-7,9,13,18H,3-4,8,10-12H2/t18-/m0/s1