3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-phthalimido-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)propionamide Formula: C23H22N4O5S2 MolecularWeight: 498.57458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C23H22N4O5S2/c28-20(10-13-27-21(29)16-6-2-3-7-17(16)22(27)30)25-23-24-18-9-8-15(14-19(18)33-23)34(31,32)26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,25,28)