2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid 2-phthalimidoethyl ester Formula: C23H23ClN2O6S MolecularWeight: 490.95652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C23H23ClN2O6S/c24-19-10-9-16(15-20(19)33(30,31)25-11-5-1-2-6-12-25)23(29)32-14-13-26-21(27)17-7-3-4-8-18(17)22(26)28/h3-4,7-10,15H,1-2,5-6,11-14H2