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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid phthalimidomethyl ester Formula: C22H21ClN2O6S MolecularWeight: 476.92994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCN3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H21ClN2O6S/c23-18-10-9-15(13-19(18)32(29,30)24-11-5-1-2-6-12-24)22(28)31-14-25-20(26)16-7-3-4-8-17(16)21(25)27/h3-4,7-10,13H,1-2,5-6,11-12,14H2