4-azanyl-2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]carbonyl-isoindole-1,3-dione Openeye Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)-4-chloro-benzoyl]isoindoline-1,3-quinone Formula: C21H20ClN3O5S MolecularWeight: 461.9186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3C(=O)C4=C(C3=O)C(=CC=C4)N)Cl

InChI

InChI=1S/C21H20ClN3O5S/c22-15-9-8-13(12-17(15)31(29,30)24-10-3-1-2-4-11-24)19(26)25-20(27)14-6-5-7-16(23)18(14)21(25)28/h5-9,12H,1-4,10-11,23H2