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

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C25H23N3O6S2 MolecularWeight: 525.59662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H23N3O6S2/c29-25(18-11-13-21(14-12-18)36(32,33)28-15-4-1-5-16-28)34-20-8-6-7-19(17-20)26-24-22-9-2-3-10-23(22)35(30,31)27-24/h2-3,6-14,17H,1,4-5,15-16H2,(H,26,27)