4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 4-phthalimidobutyl ester Formula: C27H25N3O7S MolecularWeight: 535.5683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25N3O7S/c1-18-8-14-21(15-9-18)38(35,36)29-27(34)28-20-12-10-19(11-13-20)26(33)37-17-5-4-16-30-24(31)22-6-2-3-7-23(22)25(30)32/h2-3,6-15H,4-5,16-17H2,1H3,(H2,28,29,34)