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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]ethyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl ester IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]ethyl ester Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H23N3O6S2/c25-21(16-8-10-17(11-9-16)32(28,29)24-13-4-1-5-14-24)30-15-12-22-20-18-6-2-3-7-19(18)31(26,27)23-20/h2-3,6-11H,1,4-5,12-15H2,(H,22,23)