11-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)undecanamide

Systemtic Name: 11-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)undecanamide Openeye Name: 11-(1,3-dioxoisoindolin-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)undecanamide CAS Name: 11-(1,3-dioxo-2-isoindolyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)undecanamide IUPAC Name: 11-(1,3-dioxoisoindol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)undecanamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-11-phthalimido-undecanamide Formula: C27H31N3O5S2 MolecularWeight: 541.68214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCCCCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H31N3O5S2/c1-37(34,35)19-15-16-22-23(18-19)36-27(28-22)29-24(31)14-8-6-4-2-3-5-7-11-17-30-25(32)20-12-9-10-13-21(20)26(30)33/h9-10,12-13,15-16,18H,2-8,11,14,17H2,1H3,(H,28,29,31)