3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H25N3O6S2/c26-22(17-9-11-18(12-10-17)33(29,30)25-14-4-1-5-15-25)31-16-6-13-23-21-19-7-2-3-8-20(19)32(27,28)24-21/h2-3,7-12H,1,4-6,13-16H2,(H,23,24)