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

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

CCCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCC(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H27N5O3S/c1-2-3-9-18(25-21-17-8-4-5-10-19(17)31(29,30)26-21)22(28)24-16-11-12-20(23-15-16)27-13-6-7-14-27/h4-5,8,10-12,15,18H,2-3,6-7,9,13-14H2,1H3,(H,24,28)(H,25,26)