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

Systemtic Name: 4-azanyl-2-[3-(azepan-1-ylsulfonyl)phenyl]carbonyl-isoindole-1,3-dione Openeye Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)benzoyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)benzoyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[3-(azepan-1-ylsulfonyl)benzoyl]isoindoline-1,3-quinone Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S/c22-17-10-6-9-16-18(17)21(27)24(20(16)26)19(25)14-7-5-8-15(13-14)30(28,29)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,22H2