N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetamide Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O7S/c27-19(14-25-21(28)17-6-5-7-18(26(30)31)20(17)22(25)29)23-15-8-10-16(11-9-15)34(32,33)24-12-3-1-2-4-13-24/h5-11H,1-4,12-14H2,(H,23,27)