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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[3-(azepan-1-ylsulfonyl)-4-methoxy-benzyl]benzo[de]isoquinoline-1,3-quinone Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H26N2O5S/c1-33-22-13-12-18(16-23(22)34(31,32)27-14-4-2-3-5-15-27)17-28-25(29)20-10-6-8-19-9-7-11-21(24(19)20)26(28)30/h6-13,16H,2-5,14-15,17H2,1H3