[(1R)-1-(1,3-benzothiazol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [(1R)-1-(1,3-benzothiazol-2-yl)ethyl] ester Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N2O4S2/c1-14(19-21-17-6-2-3-7-18(17)27-19)26-20(23)15-8-10-16(11-9-15)28(24,25)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3/t14-/m1/s1