6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)hexanamide

Systemtic Name: 6-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)hexanamide Openeye Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidin-1-yl-3-pyridyl)hexanamide CAS Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[6-(1-pyrrolidinyl)-3-pyridinyl]hexanamide IUPAC Name: 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidin-1-ylpyridin-3-yl)hexanamide Traditional Name: 6-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(6-pyrrolidino-3-pyridyl)hexanamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC(=O)CCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC(=O)CCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H27N5O3S/c28-21(25-17-11-12-20(24-16-17)27-14-6-7-15-27)10-2-1-5-13-23-22-18-8-3-4-9-19(18)31(29,30)26-22/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15H2,(H,23,26)(H,25,28)