2-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(1-azepanylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

InChI

InChI=1S/C26H26N2O4S/c29-25-22-9-5-7-20-8-6-10-23(24(20)22)26(30)28(25)18-15-19-11-13-21(14-12-19)33(31,32)27-16-3-1-2-4-17-27/h5-14H,1-4,15-18H2