(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(1-piperidyl)-1,3-benzothiazol-6-yl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(1-piperidinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-piperidino-1,3-benzothiazol-6-yl) ester Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H25N3O4S2/c27-22(17-6-9-19(10-7-17)32(28,29)26-14-4-5-15-26)30-18-8-11-20-21(16-18)31-23(24-20)25-12-2-1-3-13-25/h6-11,16H,1-5,12-15H2