2-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]anthracene-9,10-dione

Systemtic Name: 2-[(4-ethanoyl-1,4-diazepan-1-yl)sulfonyl]anthracene-9,10-dione Openeye Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]anthracene-9,10-dione CAS Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]anthracene-9,10-dione IUPAC Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]anthracene-9,10-dione Traditional Name: 2-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-9,10-anthraquinone Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O5S/c1-14(24)22-9-4-10-23(12-11-22)29(27,28)15-7-8-18-19(13-15)21(26)17-6-3-2-5-16(17)20(18)25/h2-3,5-8,13H,4,9-12H2,1H3