2-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)naphthalene-1,4-dione

Systemtic Name: 2-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)naphthalene-1,4-dione Openeye Name: 2-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)naphthalene-1,4-dione CAS Name: 2-(1-azepanyl)-3-(1-azepanylsulfonyl)naphthalene-1,4-dione IUPAC Name: 2-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)naphthalene-1,4-dione Traditional Name: 2-(azepan-1-yl)-3-(azepan-1-ylsulfonyl)-1,4-naphthoquinone Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H28N2O4S/c25-20-17-11-5-6-12-18(17)21(26)22(19(20)23-13-7-1-2-8-14-23)29(27,28)24-15-9-3-4-10-16-24/h5-6,11-12H,1-4,7-10,13-16H2